CFam Chemical Families Database
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You are searching for "CFAMM00433051" in compound.

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CFAM Mol ID CFAMM00433051
Family CFFBM15259 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-pyridin-3-ylpyrrolidine-2-carbonyl]amino]propanoic acid family
Superfamily CFSBM3888 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 5
Class CFCBM1436 Class 4486
External ID CHEMBL422054 External Source CHEMBL
PubChem CID 44309968 Functional Category Bioactive
Molecule Name (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-pyridin-2-ylpyrrolidine-2-carbonyl]amino]propanoic acid
IUPAC Name (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-pyridin-2-ylpyrrolidine-2-carbonyl]amino]propanoic acid
Synonyms CHEBI:210754
InChi InChI=1S/C27H29N3O5/c1-34-22-8-5-9-23(35-2)25(22)19-13-11-18(12-14-19)17-20(27(32)33)29-26(31)21-7-6-16-30(21)24-10-3-4-15-28-24/h3-5,8-15,20-21H,6-7,16-17H2,1-2H3,(H,29,31)(H,32,33)/t20-,21-/m0/s1
InChiKey SCAJVSZKETYPPT-SFTDATJTSA-N
Formula C27H29N3O5 Molecular Weight 475.54
Cross Link CHEMBL422054
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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