CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00103155" 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 CFAMM00103155
Family CFFAD806 Renin Inhibitor Remikiren Family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL2112920 External Source CHEMBL
PubChem CID 71452716 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-(butanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
IUPAC Name (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-(butanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
InChi InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1
Formula C40H51N11O6 Molecular Weight 781.90
Cross Link CHEMBL2112920

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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