CFam Chemical Families Database
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You are searching for "CFAMM00320009" in compound.

Total 1 results found.

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 CFAMM00320009
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 CHEMBL21141 External Source CHEMBL
PubChem CID 44273711 Functional Category Bioactive
Molecule Name [(1R)-1-[[(2S)-2-[(1-acetylpyrrolidine-2-carbonyl)amino]propanoyl]amino]ethyl]-[2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-phenylbutyl]phosphinic acid
IUPAC Name [(1R)-1-[[(2S)-2-[(1-acetylpyrrolidine-2-carbonyl)amino]propanoyl]amino]ethyl]-[2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-phenylbutyl]phosphinic acid
Synonyms CHEBI:124928
InChi InChI=1S/C35H50N5O7P/c1-23(2)21-30(34(44)38-29-15-10-7-11-16-29)39-33(43)28(19-18-27-13-8-6-9-14-27)22-48(46,47)25(4)37-32(42)24(3)36-35(45)31-17-12-20-40(31)26(5)41/h6-11,13-16,23-25,28,30-31H,12,17-22H2,1-5H3,(H,36,45)(H,37,42)(H,38,44)(H,39,43)(H,46,47)/t24-,25+,28?,30-,31?/m0/s1
InChiKey FDWJCEDPTNPQLJ-GPPFSWFQSA-N
Formula C35H50N5O7P Molecular Weight 683.77
Cross Link CHEMBL21141
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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