CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00281711" 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.

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CFAM Mol ID CFAMM00281711
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 CHEMBL539241 External Source CHEMBL
PubChem CID 45264223 Functional Category Bioactive
Molecule Name methyl 7-amino-3-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-hydroxy-2-methoxyheptanoate;dihydrochloride
IUPAC Name methyl 7-amino-3-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-hydroxy-2-methoxyheptanoate;dihydrochloride
Synonyms CHEBI:650813;BMS-181412
InChi InChI=1S/C23H36N4O6.2ClH/c1-32-22(30)23(31,33-2)19(12-6-7-13-24)26-20(28)18-11-8-14-27(18)21(29)17(25)15-16-9-4-3-5-10-16;;/h3-5,9-10,17-19,31H,6-8,11-15,24-25H2,1-2H3,(H,26,28);2*1H/t17-,18+,19?,23?;;/m1../s1
Formula C23H38Cl2N4O6 Molecular Weight 537.48
Cross Link CHEMBL539241

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).

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National University of Singapore, Singapore

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