CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00439936" in compound.

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CFAM Mol ID CFAMM00439936
Family CFFBM16943 Prothrombin inhibitor [(1R)-4-carbamimidoylsulfanyl-1-[[2-[methyl(3-phenylpropanoyl)amino]acetyl]amino]butyl]boronic acid family
Superfamily CFSID21 Prothrombin and Neuromedin-K receptor Binder Superfamily
Class CFCID12 Class 1362
External ID CHEMBL423259 External Source CHEMBL
PubChem CID 44378264 Functional Category Bioactive
Molecule Name [(1R)-4-carbamimidoylsulfanyl-1-[[2-[methyl(3-phenylpropanoyl)amino]acetyl]amino]butyl]boronic acid
IUPAC Name [(1R)-4-carbamimidoylsulfanyl-1-[[2-[methyl(3-phenylpropanoyl)amino]acetyl]amino]butyl]boronic acid
Synonyms CHEBI:375289
InChi InChI=1S/C17H27BN4O4S/c1-22(16(24)10-9-13-6-3-2-4-7-13)12-15(23)21-14(18(25)26)8-5-11-27-17(19)20/h2-4,6-7,14,25-26H,5,8-12H2,1H3,(H3,19,20)(H,21,23)/t14-/m0/s1
InChiKey XXHIBKBXOAVNDA-AWEZNQCLSA-N
Formula C17H27BN4O4S Molecular Weight 394.30
Cross Link CHEMBL423259
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
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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