CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00176428" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00176428
Family CFFID58 72 kDa type IV collagenase Inhibitor Batimastat Family
Superfamily CFSID43 72 kDa type IV collagenase Inhibitor Batimastat Superfamily
Class CFCID26 Class 1376
External ID CHEMBL324295 External Source CHEMBL
PubChem CID 44342253 Functional Category Bioactive
Molecule Name (2R,3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(cyanomethylsulfanylmethyl)-N'-hydroxy-2-(2-methylpropyl)butanediamide
IUPAC Name (2R,3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(cyanomethylsulfanylmethyl)-N'-hydroxy-2-(2-methylpropyl)butanediamide
Synonyms CHEBI:288455
InChi InChI=1S/C20H28N4O4S/c1-13(2)10-15(16(20(27)24-28)12-29-9-8-21)19(26)23-17(18(22)25)11-14-6-4-3-5-7-14/h3-7,13,15-17,28H,9-12H2,1-2H3,(H2,22,25)(H,23,26)(H,24,27)/t15-,16+,17+/m1/s1
Formula C20H28N4O4S Molecular Weight 420.53
Cross Link CHEMBL324295

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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