CFam Chemical Families Database
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You are searching for "CFAMM00320008" in compound.

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CFAM Mol ID CFAMM00320008
Family CFFBM1145 72 kDa type IV collagenase and Stromelysin-1 inhibitor [(2S)-2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-phenylbutyl]-[4-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]butyl]phosphinic acid family
Superfamily CFSBM482 Stromelysin-1 and 72 kDa type IV collagenase Binder Superfamily
Class CFCID15 Class 1365
External ID CHEMBL320968 External Source CHEMBL
PubChem CID 44340160 Functional Category Bioactive
Molecule Name [(2S)-2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-phenylbutyl]-[4-(3-oxo-1H-isoindol-2-yl)butyl]phosphinic acid
IUPAC Name [(2S)-2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-phenylbutyl]-[4-(3-oxo-1H-isoindol-2-yl)butyl]phosphinic acid
Synonyms CHEBI:283168
InChi InChI=1S/C35H44N3O5P/c1-26(2)23-32(34(40)36-30-16-7-4-8-17-30)37-33(39)29(20-19-27-13-5-3-6-14-27)25-44(42,43)22-12-11-21-38-24-28-15-9-10-18-31(28)35(38)41/h3-10,13-18,26,29,32H,11-12,19-25H2,1-2H3,(H,36,40)(H,37,39)(H,42,43)/t29-,32+/m1/s1
InChiKey CIARJCUCRKNXEE-PPTMTGTBSA-N
Formula C35H44N3O5P Molecular Weight 617.71
Cross Link CHEMBL320968
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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