PWWPAtlas
STRUCTURAL BIOLOGY & CHEMICAL EVIDENCEDataset v1.2 · Phase 6D · Comparative experimental recognition environments

Chemical evidence

Chemical identities

Trace a deposited component to its chemical identity, measured preparation and published evidence.

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Unresolved stereochemical assignment

Compound 11

The assayed preparation remains separate from its modeled stereochemical candidates.

Preparation-level evidence

Deposited component inventory

Browse chemical records

140 chemical records

Search the deposited identity fields. For UNC6934, BI-9321 and compound 11, use the preparation links above.

Component aliasesDeposited nameExact identityStatus
UNL Unknown ligandUnresolvedunresolved CCD placeholder
UNX UNKNOWN ATOM OR IONUnresolvedunresolved CCD placeholder
95E EthambutolAEUTYOVWOVBAKS-UWVGGRQHSA-Ncomplete deposited InChIKey
A1J21 4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamideAIMZAKOWTDKKHP-HNECRKQMSA-Ncomplete deposited InChIKey
I8G 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-oneAJVMKMWCEVOBPX-UHFFFAOYSA-Ncomplete deposited InChIKey
A1H7X 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-oneAPUAYMXUHLOPLQ-UHFFFAOYSA-Ncomplete deposited InChIKey
FMT FORMIC ACIDBDAGIHXWWSANSR-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A3P N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamideBTFSIMIIDGGVRU-UHFFFAOYSA-Ncomplete deposited InChIKey
A1EF6 (Z)-N-methyl-3-sulfanyl-prop-2-enamideBYVOHKLWUDZCNW-NSCUHMNNSA-Ncomplete deposited InChIKey
1L0 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamideBZKKUHPYPOFQBB-UHFFFAOYSA-Ncomplete deposited InChIKey
WJ7 2-bromo-4-fluoro-N,N-dimethylbenzamideCGUIJOTZYHWBSQ-UHFFFAOYSA-Ncomplete deposited InChIKey
A1CSP (6R)-6-(3,5-dichlorophenyl)morpholin-3-oneCPHQGJPWIFPPTQ-VIFPVBQESA-Ncomplete deposited InChIKey
A1A3S N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamideCPSZUJVUZDHXHY-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A36 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamineCSZFIJNBBMUGDN-UHFFFAOYSA-Ncomplete deposited InChIKey
RLT N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamideCZFFBEXEKNGXKS-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A3X 2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amineDBSDZVMWEMKFCH-QMMMGPOBSA-Ncomplete deposited InChIKey
EHK 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-oneDDBCCLBDEPERNR-UHFFFAOYSA-Ncomplete deposited InChIKey
NYV 1-(propan-2-yl)-1H-imidazole-4-sulfonamideDEJLCHRMKBBNPV-UHFFFAOYSA-Ncomplete deposited InChIKey
A1J20 ~{N}-cyclopropyl-~{N}-[[4-[[2-(6-oxidanylhexanoyl)-1~{H}-isoquinolin-6-yl]carbamoyl]phenyl]methyl]-3-oxidanylidene-4~{H}-1,4-benzoxazine-7-carboxamideDEWAWAOVHSEUOF-UHFFFAOYSA-Ncomplete deposited InChIKey
A1EF7 N-(2-methoxyphenyl)-2-selanyl-benzamideDGVCWDGVOWMWNP-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A38 N-methyl-N-(pyridin-3-yl)acetamideDIBVGDONZMMHTK-UHFFFAOYSA-Ncomplete deposited InChIKey
RYP ~{N}-methyl-1-pyridin-4-yl-methanamineDNBWGFKLIBQQSL-UHFFFAOYSA-Ncomplete deposited InChIKey
A1H6Y 1-bromanyl-4-methylsulfonyl-benzeneFJLFSYRGFJDJMQ-UHFFFAOYSA-Ncomplete deposited InChIKey
9AH 4-(dipropylamino)butanenitrileFLJPZKPNJVGMHO-UHFFFAOYSA-Ncomplete deposited InChIKey
EHW 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazoleFOQLCYIBXICLES-UHFFFAOYSA-Ncomplete deposited InChIKey
A1IEG (2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamideFPDVOQXTUVFQHW-KBPBESRZSA-Ncomplete deposited InChIKey
A1IFS (2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamideFPDVOQXTUVFQHW-KGLIPLIRSA-Ncomplete deposited InChIKey
TE0 1-(ethanesulfonyl)piperidine-4-carboxylic acidFXILSJTWIHHRJV-UHFFFAOYSA-Ncomplete deposited InChIKey
A1H7Z 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-oneGCVYFXYBQCKHCH-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A37 6-methyl-N-{[(3S)-pyrrolidin-3-yl]methyl}pyridin-2-amineGOGVDMSQODUATE-JTQLQIEISA-Ncomplete deposited InChIKey
HHN 5-bromanylpyrimidineGYCPLYCTMDTEPU-UHFFFAOYSA-Ncomplete deposited InChIKey
TU6 [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanolGZINCFOQQRVKFL-UHFFFAOYSA-Ncomplete deposited InChIKey
A1H9V ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamideHEIPZBCMZXCIPT-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A3V (2R)-1-(cyclohexylamino)propan-2-olHFHPBMVMXFZJNO-MRVPVSSYSA-Ncomplete deposited InChIKey
ZUG N,N-dimethylpyridine-3-sulfonamideHGZULNNLLFYOFI-UHFFFAOYSA-Ncomplete deposited InChIKey
A1IEF 1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]ureaHHACEXLLNHJLFT-INIZCTEOSA-Ncomplete deposited InChIKey
962 (2~{S})-1-[2-hydroxyethyl-[(2~{S})-2-oxidanylpropyl]amino]propan-2-olHHKUQCFQGCCLGA-YUMQZZPRSA-Ncomplete deposited InChIKey
A1A32 (2R)-2-phenylpropane-1-sulfonamideHXLOQIXEAPZOSG-QMMMGPOBSA-Ncomplete deposited InChIKey
DMS DIMETHYL SULFOXIDEIAZDPXIOMUYVGZ-UHFFFAOYSA-Ncomplete deposited InChIKey
A1AM1 N-{[(4R)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamideIOOTXFHTMOUUHM-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A35 N~1~,N~1~,N~4~,N~4~-tetramethylpiperazine-1,4-dicarboxamideIQHALCWAYMQEQI-UHFFFAOYSA-Ncomplete deposited InChIKey
A1H7Y 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamideIRSPYYYZACJWSE-UHFFFAOYSA-Ncomplete deposited InChIKey
EH2 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acidISSJZCAENPGUEW-BQYQJAHWSA-Ncomplete deposited InChIKey
A1H97 (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonaneITTBXBSSJHVWJS-LLVKDONJSA-Ncomplete deposited InChIKey
U0S (5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonaneITTBXBSSJHVWJS-NSHDSACASA-Ncomplete deposited InChIKey
ZQD 3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazoleIUKADXXFBFQTOO-VIFPVBQESA-Ncomplete deposited InChIKey
EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACIDJKMHFZQWWAIEOD-UHFFFAOYSA-Ncomplete deposited InChIKey
MG MAGNESIUM IONJLVVSXFLKOJNIY-UHFFFAOYSA-Ncomplete deposited InChIKey
A1AM6 2-[4-(propan-2-yl)piperazin-1-yl]pyrimidineJMSBGUKOMZSBMF-UHFFFAOYSA-Ncomplete deposited InChIKey
T0Y 1-[(thiophen-3-yl)methyl]piperidin-4-olJQJVNJKLFUBEBG-UHFFFAOYSA-Ncomplete deposited InChIKey
QMR VARENICLINEJQSHBVHOMNKWFT-DTORHVGOSA-Ncomplete deposited InChIKey
A1A30 (3S)-1-(methanesulfonyl)piperidine-3-carboxylic acidJYNPFTCJJVIWTD-LURJTMIESA-Ncomplete deposited InChIKey
EHQ 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazoleJYTPHNOPQGAILG-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A4A (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamideKKBVPDRSYCAPEU-UHFFFAOYSA-Ncomplete deposited InChIKey
V01 N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamideKOZGEDUWAQFVAV-UHFFFAOYSA-Ncomplete deposited InChIKey
NW4 3-cyclohexyl-1-(morpholin-4-yl)propan-1-oneKUIOCGNNDZSGKS-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A3Z N,N-diethyl-2-methylbenzamideKUYQDJOFVBGZID-UHFFFAOYSA-Ncomplete deposited InChIKey
4K8 isoquinoline-3-carboxylic acidKVMMIDQDXZOPAB-UHFFFAOYSA-Ncomplete deposited InChIKey
A1CSQ 1-(5-{9-[(4-{2-[(2S,3R)-2-(3,5-dichloro-4-fluorophenyl)-5-oxomorpholin-3-yl]ethyl}piperazin-1-yl)methyl]-3-azaspiro[5.5]undecane-3-carbonyl}-2-methylphenyl)-1,3-diazinane-2,4-dioneLDKYLKMCPUFNTL-PJTQZDKOSA-Ncomplete deposited InChIKey
TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOLLENZDBCJOHFCAS-UHFFFAOYSA-Ocomplete deposited InChIKey
EOH ETHANOLLFQSCWFLJHTTHZ-UHFFFAOYSA-Ncomplete deposited InChIKey
A1D73 4-(4-bromanyl-1~{H}-pyrazol-3-yl)pyridineLKKNQJJSEMQTHQ-UHFFFAOYSA-Ncomplete deposited InChIKey
PYZ 4-IODOPYRAZOLELLNQWPTUJJYTTE-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A3W (1R)-N-methyl-1-(pyridin-4-yl)propan-1-amineLOFCJGPTBIGJGR-SECBINFHSA-Ncomplete deposited InChIKey
W1A N-[(piperidin-4-yl)methyl]methanesulfonamideLULUGSQUPICPQM-UHFFFAOYSA-Ncomplete deposited InChIKey
EDO 1,2-ETHANEDIOLLYCAIKOWRPUZTN-UHFFFAOYSA-Ncomplete deposited InChIKey
EHH [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamineLYFZPAXTPPYSEC-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A34 2-methoxy-N-[(4-methylphenyl)methyl]acetamideLZKKUVDCFSJGNG-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A33 [(3S)-1-(propan-2-yl)piperidin-3-yl]methanolLZXLHLSTUPFULX-UHFFFAOYSA-Ncomplete deposited InChIKey
6Y3 ~{N}-(4-aminophenyl)-2-selanyl-benzamideMAEAMJWLVXANNO-UHFFFAOYSA-Ncomplete deposited InChIKey
SAM S-ADENOSYLMETHIONINEMEFKEPWMEQBLKI-FCKMPRQPSA-Ncomplete deposited InChIKey
UXG 1-(diphenylmethyl)azetidin-3-olMMAJXKGUZYDTHV-UHFFFAOYSA-Ncomplete deposited InChIKey
VVG N-(2-fluorophenyl)ethanesulfonamideMRTGYFRQZQCITC-UHFFFAOYSA-Ncomplete deposited InChIKey
PEG DI(HYDROXYETHYL)ETHERMTHSVFCYNBDYFN-UHFFFAOYSA-Ncomplete deposited InChIKey
UUY 2-[methyl(pyridin-2-yl)amino]ethan-1-olMWGKOPUDDQZERY-UHFFFAOYSA-Ncomplete deposited InChIKey
M3L N-TRIMETHYLLYSINEMXNRLFUSFKVQSK-QMMMGPOBSA-Ocomplete deposited InChIKey
PO4 PHOSPHATE IONNBIIXXVUZAFLBC-UHFFFAOYSA-Kcomplete deposited InChIKey
96K 6-dipropylamino-1-hexanolNGLYVCQIAOHIJE-UHFFFAOYSA-Ncomplete deposited InChIKey
9AE (2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amineNKGYBXHAQAKSSG-NSHDSACASA-Ncomplete deposited InChIKey
EH8 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridineNSJCXUONRHOYTD-UHFFFAOYSA-Ncomplete deposited InChIKey
9AK N1-(2-hydroxyethyl)-2-methyl-1,2-propanediamineOEDKOOAJXTXCQZ-UHFFFAOYSA-Ncomplete deposited InChIKey
CHT CHOLINE IONOEYIOHPDSNJKLS-UHFFFAOYSA-Ncomplete deposited InChIKey
MLA MALONIC ACIDOFOBLEOULBTSOW-UHFFFAOYSA-Ncomplete deposited InChIKey
YEB N,N-dimethylmorpholine-4-sulfonamideOPFOHHASSCNHHQ-UHFFFAOYSA-Ncomplete deposited InChIKey
X0S 2-chloro-N-methylbenzene-1-sulfonamideOSFAUZAAZLLTSW-UHFFFAOYSA-Ncomplete deposited InChIKey
BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOLOWMVSZAMULFTJU-UHFFFAOYSA-Ncomplete deposited InChIKey
GOL GLYCEROLPEDCQBHIVMGVHV-UHFFFAOYSA-Ncomplete deposited InChIKey
LJR 1-cyclohexyl-N-methylmethanesulfonamidePFWYRMPHHJKJBB-UHFFFAOYSA-Ncomplete deposited InChIKey
CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDPJWWRFATQTVXHA-UHFFFAOYSA-Ncomplete deposited InChIKey
UWS 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-onePLCLGFAKZPXQFY-UHFFFAOYSA-Ncomplete deposited InChIKey
ZN ZINC IONPTFCDOFLOPIGGS-UHFFFAOYSA-Ncomplete deposited InChIKey
WJ4 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholinePTFMLOCDFPJQDW-UHFFFAOYSA-Ncomplete deposited InChIKey
SO4 SULFATE IONQAOWNCQODCNURD-UHFFFAOYSA-Lcomplete deposited InChIKey
A1A39 W0J (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine; (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amineQLSDWIHANVSIEK-SECBINFHSA-Ncomplete deposited InChIKey
A1A3T 1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazineQQINQSPEYDVMCD-UHFFFAOYSA-Ncomplete deposited InChIKey
VZP N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylureaRMWFRPZNASSVCZ-MRVPVSSYSA-Ncomplete deposited InChIKey
DIO 1,4-DIETHYLENE DIOXIDERYHBNJHYFVUHQT-UHFFFAOYSA-Ncomplete deposited InChIKey
96H TriisopropanolamineSLINHMUFWFWBMU-CIUDSAMLSA-Ncomplete deposited InChIKey
KLQ BictegravirSOLUWJRYJLAZCX-LYOVBCGYSA-Ncomplete deposited InChIKey
MPD (4S)-2-METHYL-2,4-PENTANEDIOLSVTBMSDMJJWYQN-YFKPBYRVSA-Ncomplete deposited InChIKey
MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACIDSXGZJKUKBWWHRA-UHFFFAOYSA-Ncomplete deposited InChIKey
WO7 1-(1,4-diazepan-1-yl)ethan-1-oneTWJPZMYNUBAUGA-UHFFFAOYSA-Ncomplete deposited InChIKey
EHE 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-oneTWZULJZXADJJPI-UHFFFAOYSA-Ncomplete deposited InChIKey
LPU 1-(methanesulfonyl)piperidin-4-olUPEFDWJLNXWMOW-UHFFFAOYSA-Ncomplete deposited InChIKey
UWD N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamineUQXCTICEXNDHAR-UHFFFAOYSA-Ncomplete deposited InChIKey
WV4 N-ethyl-2-fluoro-4-(methylsulfonyl)anilineUTXGKZQFKXUXRX-UHFFFAOYSA-Ncomplete deposited InChIKey
VVJ N-cycloheptyl-N-methylmethanesulfonamideUXPPTRFZLSZETL-UHFFFAOYSA-Ncomplete deposited InChIKey
CL CHLORIDE IONVEXZGXHMUGYJMC-UHFFFAOYSA-Mcomplete deposited InChIKey
A1A3Q N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamideVMFJFKMORNSDKQ-ZETCQYMHSA-Ncomplete deposited InChIKey
8DH N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamideVTMVBMKVPGBHRQ-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A31 (2R)-1-(2-methyl-1H-imidazol-1-yl)propan-2-olVUFBCWUJICCKDU-ZCFIWIBFSA-Ncomplete deposited InChIKey
A1A3R (2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholineWFCPFRCXTJZDAM-RQJHMYQMSA-Ncomplete deposited InChIKey
2NU 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamideWFHPYRQFVJBTSS-UHFFFAOYSA-Ncomplete deposited InChIKey
A1AJ5 (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amineWHLMWNCAOOBOTJ-QMMMGPOBSA-Ncomplete deposited InChIKey
NX7 (2,6-difluorophenyl)(pyrrolidin-1-yl)methanoneWKDBMZQECSVNDS-UHFFFAOYSA-Ncomplete deposited InChIKey
EJE [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamineWOAOENGFAAUUGT-UHFFFAOYSA-Ncomplete deposited InChIKey
BYZ 4-bromo-1H-pyrazoleWVGCPEDBFHEHEZ-UHFFFAOYSA-Ncomplete deposited InChIKey
Q5D 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamideWYAGGMZTARRIDX-UHFFFAOYSA-Ncomplete deposited InChIKey
A1H9U ~{N}-(3-azanyl-2-methyl-phenyl)propanamideXFEFCFAFNZDPDF-UHFFFAOYSA-Ncomplete deposited InChIKey
96E 5-[2-hydroxyethyl(propyl)amino]pentan-1-olXJBJEDGBRSPREH-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A3U N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamineXJCXOPUZWYXCES-QMMMGPOBSA-Ncomplete deposited InChIKey
HOH WATERXLYOFNOQVPJJNP-UHFFFAOYSA-Ncomplete deposited InChIKey
A1AKB N,N-dimethylpiperazine-1-carboxamideXMFYMWXCIWIHAC-UHFFFAOYSA-Ncomplete deposited InChIKey
Y6V ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamideXPHOPAPMJBSLFN-UHFFFAOYSA-Ncomplete deposited InChIKey
EHT 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazoleXPQAEPLMWBAUIW-UHFFFAOYSA-Ncomplete deposited InChIKey
ADP ADENOSINE-5'-DIPHOSPHATEXTWYTFMLZFPYCI-KQYNXXCUSA-Ncomplete deposited InChIKey
EJQ ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamideXUHKVJOCQINJLO-UHFFFAOYSA-Ncomplete deposited InChIKey
OCS CYSTEINESULFONIC ACIDXVOYSCVBGLVSOL-REOHCLBHSA-Ncomplete deposited InChIKey
A1II2 4-[[(5-bromanylpyridin-3-yl)methylamino]methyl]anilineXYXFWJIPNFLQRI-UHFFFAOYSA-Ncomplete deposited InChIKey
K2S N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamideYJCZGTAEFYFJRJ-UHFFFAOYSA-Ncomplete deposited InChIKey
UVA N-methyl-2-(methylsulfonyl)anilineYLDKGNWSSXYUAH-UHFFFAOYSA-Ncomplete deposited InChIKey
A1AMX (2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamideYVFXOSQSQHCMKO-MRVPVSSYSA-Ncomplete deposited InChIKey
A1A4B [(2R)-2-methylpiperidin-1-yl](4-methyl-1,3-thiazol-5-yl)methanoneYWRNHBFWWBSTNH-QMMMGPOBSA-Ncomplete deposited InChIKey
KF8 N-[(3S)-piperidin-3-yl]benzamideZFLKDMGBVZHBAC-NSHDSACASA-Ncomplete deposited InChIKey
SAH S-ADENOSYL-L-HOMOCYSTEINEZJUKTBDSGOFHSH-WFMPWKQPSA-Ncomplete deposited InChIKey
SAO 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosineZJUKTBDSGOFHSH-WFMPWKQPSA-Ocomplete deposited InChIKey
7QC 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrileZMYTUDHTGNNWHO-UHFFFAOYSA-Ncomplete deposited InChIKey
A1A3Y 2-(2,2-dimethylpyrrolidin-1-yl)ethan-1-amineZSHAGSDVWLLMSY-UHFFFAOYSA-Ncomplete deposited InChIKey
SYX (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanoneZSHARPJAQXGCMB-SECBINFHSA-Ncomplete deposited InChIKey
A1II3 [3-[(5-bromanylpyridin-3-yl)methylamino]phenyl]methanolZSRUKYFBDGVFQS-UHFFFAOYSA-Ncomplete deposited InChIKey