CFam Chemical Families Database
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You are searching for "CFAMM00303750" in compound.

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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 CFAMM00303750
Family CFFID4179 Bombesin receptor subtype-3 and Gastrin-releasing peptide receptor Ligand [(n4-bzdig)0]bb(7-14) Family
Superfamily CFSCD507 NS5A protein Inhibitor Bms 790052 Superfamily
Class CFCCD357 Class 1170
External ID CHEMBL385976 External Source CHEMBL
PubChem CID 44417549 Functional Category Bioactive
Molecule Name (4R,7R,10S,13R)-13-acetamido-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-7-benzyl-5-[4-(diaminomethylideneamino)butyl]-10-(1H-imidazol-5-ylmethyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxamide
IUPAC Name (4R,7R,10S,13R)-13-acetamido-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-7-benzyl-5-[4-(diaminomethylideneamino)butyl]-10-(1H-imidazol-5-ylmethyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxamide
Synonyms CHEBI:461367
InChi InChI=1S/C39H50N12O6S2/c1-23(52)47-32-20-58-59-21-33(37(56)48-29(34(40)53)16-25-18-45-28-12-6-5-11-27(25)28)51(14-8-7-13-44-39(41)42)38(57)31(15-24-9-3-2-4-10-24)50-35(54)30(49-36(32)55)17-26-19-43-22-46-26/h2-6,9-12,18-19,22,29-33,45H,7-8,13-17,20-21H2,1H3,(H2,40,53)(H,43,46)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,41,42,44)/t29-,30-,31+,32-,33-/m0/s1
Formula C39H50N12O6S2 Molecular Weight 847.02
Cross Link CHEMBL385976

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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