CFam Chemical Families Database
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You are searching for "CFAMM00213915" in compound.

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CFAM Mol ID CFAMM00213915
Family CFFID580 Caspase-1 Inhibitor Yvad Family
Superfamily CFSID474 Caspase-1 Inhibitor Yvad Superfamily
Class CFCID331 Class 1681
External ID DNC001529 External Source TTD
PubChem CID 56603797 Functional Category Investigative Drug
Molecule Name YVAD
IUPAC Name (3S)-3-[[(2S)-2-[[2-[[(2S)-2-acetamido-2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-chloro-4-oxopentanoic acid
Synonyms DNC001529
InChi InChI=1S/C23H31ClN4O8/c1-11(2)19(28-23(36)20(26-13(4)29)14-5-7-15(30)8-6-14)22(35)25-12(3)21(34)27-16(9-18(32)33)17(31)10-24/h5-8,11-12,16,19-20,30H,9-10H2,1-4H3,(H,25,35)(H,26,29)(H,27,34)(H,28,36)(H,32,33)/t12-,16-,19?,20-/m0/s1
InChiKey NZFJKTKBVZFJPT-MFDXPFQTSA-N
Formula C23H31ClN4O8 Molecular Weight 526.97
Cross Link
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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