CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00437913" 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 CFAMM00437913
Family CFFBM16385 Angiotensin-converting enzyme and Neprilysin inhibitor (5R,7S)-5-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-3,4,5,7,8,9,10,10a-octahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid family
Superfamily CFSID554 cGMP-specific 3',5'-cyclic phosphodiesterase Inhibitor Gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine Superfamily
Class CFCID386 Class 1736
External ID CHEMBL372307 External Source CHEMBL
PubChem CID 44404953 Functional Category Bioactive
Molecule Name (5R,7S)-5-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-3,4,5,7,8,9,10,10a-octahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
IUPAC Name (5R,7S)-5-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-3,4,5,7,8,9,10,10a-octahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
Synonyms CHEBI:431317
InChi InChI=1S/C19H26N2O3S2/c22-18(15(25)12-13-6-2-1-3-7-13)20-16-9-5-11-26-17-10-4-8-14(19(23)24)21(16)17/h1-3,6-7,14-17,25H,4-5,8-12H2,(H,20,22)(H,23,24)/t14-,15-,16+,17?/m0/s1
InChiKey WSDIIIJALODSSH-PMRDEQMMSA-N
Formula C19H26N2O3S2 Molecular Weight 394.55
Cross Link CHEMBL372307
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
 

 

27650 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', 'CFAMM00437913'),None, txtsearch, CFAMM00437913|