CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00221513" 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 CFAMM00221513
Family CFFID897 Thymidylate synthase Inhibitor Sp-876 Family
Superfamily CFSID734 Thymidylate synthase Inhibitor Sp-876 Superfamily
Class CFCID516 Class 1866
External ID CHEMBL135603 External Source CHEMBL
PubChem CID 513412 Functional Category Bioactive
Molecule Name AC1LAGIR
IUPAC Name (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[(2-oxo-3-phenylpropanoyl)amino]hexanoic acid
Synonyms Lysine Sulfonamide 11l;N2-Isobutyl-N2-[(4-methylphenyl)sulfonyl]-N6-(2-oxo-3-phenylpropanoyl)-L-lysine;(2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[(2-oxo-3-phenylpropanoyl)amino]hexanoic acid
InChi InChI=1S/C26H34N2O6S/c1-19(2)18-28(35(33,34)22-14-12-20(3)13-15-22)23(26(31)32)11-7-8-16-27-25(30)24(29)17-21-9-5-4-6-10-21/h4-6,9-10,12-15,19,23H,7-8,11,16-18H2,1-3H3,(H,27,30)(H,31,32)/t23-/m0/s1
Formula C26H34N2O6S Molecular Weight 502.62
Cross Link CHEMBL135603

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



111048 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', 'CFAMM00221513'),None, txtsearch, CFAMM00221513|