CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00281707" 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 CFAMM00281707
Family CFFID3006 Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family
Superfamily CFSID1298 Beta-secretase 1 and Caspase-4 Binder Superfamily
Class CFCAD608 Class 608
External ID CHEMBL156558 External Source CHEMBL
PubChem CID 44371779 Functional Category Bioactive
Molecule Name methyl (2S)-2-[[(2S)-2-[[4-[4-[[(2S)-2-[[(2S)-1-(4-aminobutanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanoylamino]-3-hydroxy-6-methylheptanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
IUPAC Name methyl (2S)-2-[[(2S)-2-[[4-[4-[[(2S)-2-[[(2S)-1-(4-aminobutanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanoylamino]-3-hydroxy-6-methylheptanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
Synonyms CHEBI:361993
InChi InChI=1S/C46H69N7O9/c1-30(2)25-34(39(54)29-41(56)50-35(26-31(3)4)44(59)52-37(46(61)62-5)28-33-17-10-7-11-18-33)49-40(55)20-13-23-48-43(58)36(27-32-15-8-6-9-16-32)51-45(60)38-19-14-24-53(38)42(57)21-12-22-47/h6-11,15-18,30-31,34-39,54H,12-14,19-29,47H2,1-5H3,(H,48,58)(H,49,55)(H,50,56)(H,51,60)(H,52,59)/t34?,35-,36-,37-,38-,39?/m0/s1
Formula C46H69N7O9 Molecular Weight 864.08
Cross Link CHEMBL156558

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



58433 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', 'CFAMM00281707'),None, txtsearch, CFAMM00281707|