CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00265941" 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 CFAMM00265941
Family CFFID2340 Beta-secretase 1 Inhibitor KMI-538 Family
Superfamily CFSAD272 Penicillin binding protein Inhibitor Ertapenem Superfamily
Class CFCAD257 Class 257
External ID CHEMBL353816 External Source CHEMBL
PubChem CID 10259109 Functional Category Bioactive
Molecule Name 3-[[2,2-difluoro-4-[[(2S)-1-[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-3-oxo-5-phenylpentanoyl]amino]benzoic acid
IUPAC Name 3-[[2,2-difluoro-4-[[(2S)-1-[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-3-oxo-5-phenylpentanoyl]amino]benzoic acid
Synonyms CHEBI:387012
InChi InChI=1S/C37H40F2N4O7/c1-23(2)31(42-30(44)19-18-24-11-5-3-6-12-24)34(47)43-20-10-17-29(43)33(46)41-28(21-25-13-7-4-8-14-25)32(45)37(38,39)36(50)40-27-16-9-15-26(22-27)35(48)49/h3-9,11-16,22-23,28-29,31H,10,17-21H2,1-2H3,(H,40,50)(H,41,46)(H,42,44)(H,48,49)/t28?,29-,31-/m0/s1
InChiKey CJWDWGZIJACCDA-DSMFHGBCSA-N
Formula C37H40F2N4O7 Molecular Weight 690.73
Cross Link CHEMBL353816
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
 

 

27398 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', 'CFAMM00265941'),None, txtsearch, CFAMM00265941|