CFam Chemical Families Database
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You are searching for "CFAMM00381239" in compound.

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CFAM Mol ID CFAMM00381239
Family CFFBM7557 Macrophage metalloelastase and 72 kDa type IV collagenase inhibitor (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide family
Superfamily CFSBM1187 Collagenase 3 and Matrix metalloproteinase-9 Binder Superfamily 4
Class CFCID953 Class 2303
External ID CHEMBL2064542 External Source CHEMBL
PubChem CID 57523473 Functional Category Bioactive
Molecule Name (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]amino]-3-methylbutanamide
IUPAC Name (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]amino]-3-methylbutanamide
Synonyms
InChi InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
InChiKey YDSGUUACYYBPLW-GDLZYMKVSA-N
Formula C30H42N2O10S Molecular Weight 622.73
Cross Link CHEMBL2064542
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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