CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00103198" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00103198
Family CFFAD806 Renin Inhibitor Remikiren Family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL92384 External Source CHEMBL
PubChem CID 15673263 Functional Category Bioactive
Molecule Name tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-3-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]sulfonylbutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-3-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]sulfonylbutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms CHEBI:252282
InChi InChI=1S/C38H59N7O9S/c1-38(2,3)54-37(50)44-31(21-28-12-8-5-9-13-28)35(48)43-32(22-29-23-39-26-41-29)36(49)42-30(20-27-10-6-4-7-11-27)33(46)24-55(51,52)25-34(47)40-14-15-45-16-18-53-19-17-45/h5,8-9,12-13,23,26-27,30-33,46H,4,6-7,10-11,14-22,24-25H2,1-3H3,(H,39,41)(H,40,47)(H,42,49)(H,43,48)(H,44,50)/t30-,31-,32-,33-/m0/s1
InChiKey YPLVCNVMFLYOTL-YRCZKMHPSA-N
Formula C38H59N7O9S Molecular Weight 789.98
Cross Link CHEMBL92384
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
 

 

26848 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00103198'),None, txtsearch, CFAMM00103198|