CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00355978" 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 CFAMM00355978
Family CFFBM4430 Neutrophil collagenase and Stromelysin-1 inhibitor tert-butyl (3S)-4-[[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-3-[(2-phenylacetyl)amino]butanoate family
Superfamily CFSBM2376 Neutrophil collagenase and Stromelysin-1 Binder Superfamily
Class CFCBM928 Class 3978
External ID CHEMBL262264 External Source CHEMBL
PubChem CID 44300163 Functional Category Bioactive
Molecule Name tert-butyl (3S)-4-[[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
IUPAC Name tert-butyl (3S)-4-[[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Synonyms CHEBI:188692
InChi InChI=1S/C33H38N4O10S/c1-33(2,3)47-29(38)18-27(35-32(41)46-20-21-8-6-5-7-9-21)30(39)34-24-11-10-22-17-28(31(40)36-42)37(19-23(22)16-24)48(43,44)26-14-12-25(45-4)13-15-26/h5-16,27-28,42H,17-20H2,1-4H3,(H,34,39)(H,35,41)(H,36,40)/t27-,28-/m0/s1
Formula C33H38N4O10S Molecular Weight 682.74
Cross Link CHEMBL262264

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



27058 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', 'CFAMM00355978'),None, txtsearch, CFAMM00355978|