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

Deposited chemical component · A1IEG

Chemical component A1IEG

(2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide

complete deposited InChIKey

Identity record

Chemical identity

Exact identity
FPDVOQXTUVFQHW-KBPBESRZSA-N
Status
complete deposited InChIKey
CCD aliases
A1IEG
Formula
C17 H27 N5 O3 S

Identity → Preparation → Assay

Measured preparations and candidate identities

1 linked preparations

Modeled candidate link

compound 11 (Collie 2025)

assayed stereoisomeric mixture not single chemical identity

Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.

Inspect preparation and observations

Experimental structures

Deposited occurrences

1 entries
EntryClassificationPWWP domain coordinatesTitle
9FOCCo-CrystalsObservedCrystal structure of the PWWP1 domain of NSD2 bound by compound 11.