CFam Chemical Families Database
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You are searching for "CFAMM00407926" in compound.

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CFAM Mol ID CFAMM00407926
Family CFFBM11259 Angiotensin-converting enzyme and Neprilysin inhibitor (2S,5R)-5-(2-hydroxyphenyl)-1-[2-[[(2S)-3-(4-hydroxyphenyl)-2-sulfanylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid family
Superfamily CFSBM5433 Neprilysin and Beta-lactamase Binder Superfamily
Class CFCBM397 Class 3447
External ID CHEMBL2115220 External Source CHEMBL
PubChem CID 10575198 Functional Category Bioactive
Molecule Name (2S,5R)-1-[2-[[(2S)-3-(4-hydroxyphenyl)-2-sulfanylpropanoyl]amino]acetyl]-5-(2-methylphenyl)pyrrolidine-2-carboxylic acid
IUPAC Name (2S,5R)-1-[2-[[(2S)-3-(4-hydroxyphenyl)-2-sulfanylpropanoyl]amino]acetyl]-5-(2-methylphenyl)pyrrolidine-2-carboxylic acid
Synonyms
InChi InChI=1S/C23H26N2O5S/c1-14-4-2-3-5-17(14)18-10-11-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-6-8-16(26)9-7-15/h2-9,18-20,26,31H,10-13H2,1H3,(H,24,28)(H,29,30)/t18-,19+,20+/m1/s1
InChiKey ORFNPOYNWDWXEI-AABGKKOBSA-N
Formula C23H26N2O5S Molecular Weight 442.53
Cross Link CHEMBL2115220
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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