CFam Chemical Families Database
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You are searching for "CFAMM00483986" in compound.

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CFAM Mol ID CFAMM00483986
Family CFFBM27780 Caspase-1 inhibitor 3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxo-5-(2-oxochromen-7-yl)oxypentanoic acid family
Superfamily CFSBM3068 Caspase-1 and Disintegrin Binder Superfamily
Class CFCAD412 Class 412
External ID CHEMBL322966 External Source CHEMBL
PubChem CID 44341984 Functional Category Bioactive
Molecule Name 3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxo-5-(2-oxochromen-7-yl)oxypentanoic acid
IUPAC Name 3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxo-5-(2-oxochromen-7-yl)oxypentanoic acid
Synonyms CHEBI:287773
InChi InChI=1S/C30H33N3O10/c1-17(2)27(33-30(40)42-15-19-7-5-4-6-8-19)29(39)31-18(3)28(38)32-22(14-25(35)36)23(34)16-41-21-11-9-20-10-12-26(37)43-24(20)13-21/h4-13,17-18,22,27H,14-16H2,1-3H3,(H,31,39)(H,32,38)(H,33,40)(H,35,36)/t18-,22?,27-/m0/s1
InChiKey MHRDQOSRHFFZBJ-QYXJAZEHSA-N
Formula C30H33N3O10 Molecular Weight 595.60
Cross Link CHEMBL322966
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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