CFam Chemical Families Database
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You are searching for "CFAMM00303734" 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 CFAMM00303734
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 CHEMBL2373075 External Source CHEMBL
PubChem CID 73354831 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanediamide
IUPAC Name (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanediamide
Synonyms
InChi InChI=1S/C56H88N18O14S/c1-29(2)19-39(54(86)71-37(48(60)80)16-18-89-6)72-55(87)41(21-33-23-61-28-66-33)69-45(78)26-65-56(88)47(30(3)4)74-49(81)31(5)67-53(85)40(20-32-22-62-36-13-8-7-11-34(32)36)73-52(84)38(14-15-43(59)76)68-44(77)25-64-51(83)42(27-75)70-46(79)24-63-50(82)35(58)12-9-10-17-57/h7-8,11,13,22-23,28-31,35,37-42,47,62,75H,9-10,12,14-21,24-27,57-58H2,1-6H3,(H2,59,76)(H2,60,80)(H,61,66)(H,63,82)(H,64,83)(H,65,88)(H,67,85)(H,68,77)(H,69,78)(H,70,79)(H,71,86)(H,72,87)(H,73,84)(H,74,81)/t31-,35-,37+,38-,39-,40-,41-,42-,47-/m0/s1
InChiKey UNFXPPKALMHWIW-PEZKAKHESA-N
Formula C56H88N18O14S Molecular Weight 1269.48
Cross Link CHEMBL2373075
Structure

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

 
2014.08.29
 

 

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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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