CFam Chemical Families Database
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You are searching for "CFAMM00176418" in compound.

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CFAM Mol ID CFAMM00176418
Family CFFID58 72 kDa type IV collagenase Inhibitor Batimastat Family
Superfamily CFSID43 72 kDa type IV collagenase Inhibitor Batimastat Superfamily
Class CFCID26 Class 1376
External ID CHEMBL79058 External Source CHEMBL
PubChem CID 44317039 Functional Category Bioactive
Molecule Name ethyl N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]carbamate
IUPAC Name ethyl N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]carbamate
Synonyms CHEBI:226201
InChi InChI=1S/C28H41N5O6S/c1-7-39-28(38)32-21(13-18-14-40-22-11-9-8-10-19(18)22)26(36)33-23(16(4)5)27(37)30-17(6)25(35)31-20(24(29)34)12-15(2)3/h8-11,14-17,20-21,23H,7,12-13H2,1-6H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t17-,20-,21+,23-/m0/s1
InChiKey LQLKYWPTQNSVHL-JDLLUZBXSA-N
Formula C28H41N5O6S Molecular Weight 575.72
Cross Link CHEMBL79058
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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