CFam Chemical Families Database
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You are searching for "CFAMM00432196" in compound.

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CFAM Mol ID CFAMM00432196
Family CFFBM15082 Disintegrin and metalloproteinase domain-containing protein 17 and 72 kDa type IV collagenase inhibitor (2R)-2-[7-[(3,5-dimethoxyphenyl)methoxy]-1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl]-N-hydroxy-6-(methanesulfonamido)hexanamide family
Superfamily CFSBM6508 Matrix metalloproteinase-9 and 72 kDa type IV collagenase Binder Superfamily 17
Class CFCBM2043 Class 5093
External ID CHEMBL299141 External Source CHEMBL
PubChem CID 11146467 Functional Category Bioactive
Molecule Name tert-butyl N-[(5R)-5-[7-[(3,5-dimethoxyphenyl)methoxy]-1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate
IUPAC Name tert-butyl N-[(5R)-5-[7-[(3,5-dimethoxyphenyl)methoxy]-1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate
Synonyms CHEBI:179894
InChi InChI=1S/C28H40N4O9S/c1-28(2,3)41-27(34)30-11-7-6-8-24(26(33)31-35)32-13-12-29-23-17-20(9-10-25(23)42(32,36)37)40-18-19-14-21(38-4)16-22(15-19)39-5/h9-10,14-17,24,29,35H,6-8,11-13,18H2,1-5H3,(H,30,34)(H,31,33)/t24-/m1/s1
InChiKey QJCXYCVUFZIPQG-XMMPIXPASA-N
Formula C28H40N4O9S Molecular Weight 608.70
Cross Link CHEMBL299141
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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