CFam Chemical Families Database
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You are searching for "CFAMM00440290" in compound.

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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 CFAMM00440290
Family CFFBM17046 72 kDa type IV collagenase and Collagenase 3 inhibitor AGN-PC-074BSP family
Superfamily CFSBM4204 Integrin alpha-4 and Integrin beta-1 Binder Superfamily
Class CFCBM406 Class 3456
External ID CHEMBL432139 External Source CHEMBL
PubChem CID 22092936 Functional Category Bioactive
Molecule Name AGN-PC-03K88R
IUPAC Name 3-[[2-methoxy-5-[3-(2-methylpropylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
Synonyms CHEBI:200806;3-[[2-methoxy-5-[3-(2-methylpropylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
InChi InChI=1S/C27H31N3O6S/c1-18(2)17-28-27(33)29-22-11-7-10-20(14-22)21-12-13-24(36-3)25(15-21)37(34,35)30-23(16-26(31)32)19-8-5-4-6-9-19/h4-15,18,23,30H,16-17H2,1-3H3,(H,31,32)(H2,28,29,33)
InChiKey GXJLKDJMXLRNOL-UHFFFAOYSA-N
Formula C27H31N3O6S Molecular Weight 525.62
Cross Link CHEMBL432139
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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