CFam Chemical Families Database
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You are searching for "CFAMM00398406" in compound.

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CFAM Mol ID CFAMM00398406
Family CFFBM9862 Pol polyprotein inhibitor SureCN3530080 family
Superfamily CFSBM4975 Pol polyprotein Binder Superfamily 37
Class CFCBM26 Class 3076
External ID CHEMBL197500 External Source CHEMBL
PubChem CID 11513133 Functional Category Bioactive
Molecule Name SureCN3528238
IUPAC Name methyl N-[(2S)-1-[2-[(2S)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-2-[(4-bromophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Synonyms CHEBI:432112;{(1S)-1-[N'-(4-Bromobenzyl)-N'-((2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenylpropyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester;1AH
InChi InChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-14-16-25(35)17-15-23)21-34(44,19-22-10-6-5-7-11-22)31(42)36-28-26-13-9-8-12-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34+/m1/s1
InChiKey JTIFBCHFPVQSEH-UNMGZEBXSA-N
Formula C34H41BrN4O6 Molecular Weight 681.62
Cross Link CHEMBL197500
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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