CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00440201" 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 CFAMM00440201
Family CFFBM17022 Angiotensin-converting enzyme inhibitor SureCN7263641 family
Superfamily CFSBM3987 Prostaglandin D2 receptor and Angiotensin-converting enzyme Binder Superfamily
Class CFCAD107 Class 107
External ID CHEMBL595075 External Source CHEMBL
PubChem CID 9809577 Functional Category Bioactive
Molecule Name SureCN6586779
IUPAC Name 2-[3-[2-[[(2S)-1-[(2S)-2-[[(3S)-1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]acetic acid
Synonyms tripeptide-based inhibitor, 14p
InChi InChI=1S/C31H40N6O9/c1-18(2)25(27(42)29(44)32-15-20-9-6-5-7-10-20)34-28(43)21-11-8-13-36(21)30(45)26(19(3)4)33-22(38)16-35-14-12-23(39)37(31(35)46)17-24(40)41/h5-7,9-10,12,14,18-19,21,25-26H,8,11,13,15-17H2,1-4H3,(H,32,44)(H,33,38)(H,34,43)(H,40,41)/t21-,25-,26-/m0/s1
InChiKey UOYDKNGOYGPDBX-MZBJOSPHSA-N
Formula C31H40N6O9 Molecular Weight 640.68
Cross Link CHEMBL595075
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
 

 

27759 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', 'CFAMM00440201'),None, txtsearch, CFAMM00440201|