CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00186650" 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 CFAMM00186650
Family CFFID293 Prothrombin Inhibitor Efegatran Family
Superfamily CFSID21 Prothrombin and Neuromedin-K receptor Binder Superfamily
Class CFCID12 Class 1362
External ID CHEMBL199845 External Source CHEMBL
PubChem CID 44405920 Functional Category Bioactive
Molecule Name [(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-benzamidohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]boronic acid
IUPAC Name [(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-benzamidohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]boronic acid
Synonyms CHEBI:434022
InChi InChI=1S/C31H54BN11O7/c1-2-3-13-22(41-26(45)20-11-5-4-6-12-20)28(47)42-23(14-7-8-17-33)29(48)43-24(16-10-19-39-31(36)37)27(46)40-21(25(44)32(49)50)15-9-18-38-30(34)35/h4-6,11-12,21-24,49-50H,2-3,7-10,13-19,33H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,34,35,38)(H4,36,37,39)/t21-,22-,23-,24-/m0/s1
InChiKey IOMSBGSLPRBBIF-ZJZGAYNASA-N
Formula C31H54BN11O7 Molecular Weight 703.64
Cross Link CHEMBL199845
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
 

 

48700 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', 'CFAMM00186650'),None, txtsearch, CFAMM00186650|