CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00428679" 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 CFAMM00428679
Family CFFBM14477 Calpain-1 catalytic subunit inhibitor 2-ethyl-1,1-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-7,8-dihydro-[1,4]dioxino[2,3-g][1,2]benzothiazine-3-carboxamide family
Superfamily CFSBM4882 Calpain-1 catalytic subunit and Trypsin-1 Binder Superfamily
Class CFCBM260 Class 3310
External ID CHEMBL8104 External Source CHEMBL
PubChem CID 44265335 Functional Category Bioactive
Molecule Name 2-ethyl-N-[(2S)-4-[2-[(4-nitrophenyl)sulfonylamino]ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1,1-dioxo-3,4,7,8-tetrahydro-[1,4]dioxino[2,3-g][1,2]benzothiazine-3-carboxamide
IUPAC Name 2-ethyl-N-[(2S)-4-[2-[(4-nitrophenyl)sulfonylamino]ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1,1-dioxo-3,4,7,8-tetrahydro-[1,4]dioxino[2,3-g][1,2]benzothiazine-3-carboxamide
Synonyms CHEBI:103892
InChi InChI=1S/C31H33N5O11S2/c1-2-35-25(17-21-18-26-27(47-15-14-46-26)19-28(21)49(35,44)45)30(38)34-24(16-20-6-4-3-5-7-20)29(37)31(39)32-12-13-33-48(42,43)23-10-8-22(9-11-23)36(40)41/h3-11,18-19,24-25,33H,2,12-17H2,1H3,(H,32,39)(H,34,38)/t24-,25?/m0/s1
Formula C31H33N5O11S2 Molecular Weight 715.75
Cross Link CHEMBL8104

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



48686 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', 'CFAMM00428679'),None, txtsearch, CFAMM00428679|