CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00166161" 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 CFAMM00166161
Family CFFCD604 BIBT986 family
Superfamily CFSCD540 BIBT986 Superfamily
Class CFCAD716 Class 716
External ID CHEMBL80922 External Source CHEMBL
PubChem CID 489236 Functional Category Bioactive
Molecule Name AC1LAJ5P
IUPAC Name 2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-4-phosphonobutanoic acid
Synonyms CTK7I4907;CHEBI:224229;AG-K-25094;2-[({2-[(5-carbamoyl-1h-benzimidazol-2-yl)methyl]-1-methyl-1h-benzimidazol-6-yl}carbonyl)amino]-4-phosphonobutanoic acid;2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-4-phosphonobutanoic acid;Butanoic acid, 2-[[[2-[[5-(aminocarbonyl)-1H-benzimidazol-2-yl]methyl]-1-methyl-1H-benzimidazol-6-yl]carbonyl]amino]-4-phosphono-
InChi InChI=1S/C22H23N6O7P/c1-28-17-9-12(21(30)27-15(22(31)32)6-7-36(33,34)35)3-5-14(17)26-19(28)10-18-24-13-4-2-11(20(23)29)8-16(13)25-18/h2-5,8-9,15H,6-7,10H2,1H3,(H2,23,29)(H,24,25)(H,27,30)(H,31,32)(H2,33,34,35)
InChiKey CYYBNWSGANYTMN-UHFFFAOYSA-N
Formula C22H23N6O7P Molecular Weight 514.43
Cross Link CHEMBL80922
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
 

 

45057 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', 'CFAMM00166161'),None, txtsearch, CFAMM00166161|