CFam Chemical Families Database
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You are searching for "CFAMM00328413" in compound.

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CFAM Mol ID CFAMM00328413
Family CFFBM1872 Caspase-1 inhibitor (3S)-4-oxo-3-[[(2S)-4-oxo-2-propan-2-yl-4-(2-quinolin-4-ylethylamino)butanoyl]amino]butanoic acid family
Superfamily CFSBM1069 Caspase-1 and Trypsin-1 Binder Superfamily
Class CFCCD314 Class 1127
External ID CHEMBL1221743 External Source CHEMBL
PubChem CID 49864418 Functional Category Bioactive
Molecule Name (3S)-4-oxo-3-[[(2S)-4-oxo-2-propan-2-yl-4-(2-quinolin-4-ylethylamino)butanoyl]amino]butanoic acid
IUPAC Name (3S)-4-oxo-3-[[(2S)-4-oxo-2-propan-2-yl-4-(2-quinolin-4-ylethylamino)butanoyl]amino]butanoic acid
Synonyms CHEBI:788172
InChi InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-7-9-23-19-6-4-3-5-17(15)19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,18-/m0/s1
InChiKey FEADORLLBOLZFS-WMZOPIPTSA-N
Formula C22H27N3O5 Molecular Weight 413.47
Cross Link CHEMBL1221743
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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