CFam Chemical Families Database
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You are searching for "CFAMM00308097" in compound.

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CFAM Mol ID CFAMM00308097
Family CFFBM150 Carbonic anhydrase 2 and Carbonic anhydrase 1 inhibitor 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide;perchlorate family
Superfamily CFSBM94 Carbonic anhydrase 2 and Prelamin-A/C Binder Superfamily 2
Class CFCID348 Class 1698
External ID CHEMBL415466 External Source CHEMBL
PubChem CID 11082579 Functional Category Bioactive
Molecule Name 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]ethyl]amino]acetic acid
IUPAC Name 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]ethyl]amino]acetic acid
Synonyms CHEBI:150271
InChi InChI=1S/C21H28N6O11S2/c22-40(37,38)21-24-14-2-1-13(7-15(14)39-21)23-16(28)8-26(10-18(31)32)5-3-25(9-17(29)30)4-6-27(11-19(33)34)12-20(35)36/h1-2,7H,3-6,8-12H2,(H,23,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,22,37,38)
InChiKey QTRPSCXVKWWSNO-UHFFFAOYSA-N
Formula C21H28N6O11S2 Molecular Weight 604.61
Cross Link CHEMBL415466
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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