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Ligand

NameCHEMBL287980
Molecular formulaC36H48N7O6-
IUPAC name2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]-methylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoyl]-methylamino]acetate
Molecular weight674.823
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
SynonymsSodium; ({2-[2-({2-[(azepane-1-carbonyl)-amino]-4-methyl-pentanoyl}-methyl-amino)-3-(1H-indol-3-yl)-propionylamino]-3-pyridin-2-yl-propionyl}-methyl-amino)-acetate
BDBM50000567
Inchi KeyCECBPUNEWWTHGI-OLUZHXLYSA-M
Inchi IDInChI=1S/C36H49N7O6/c1-24(2)19-29(40-36(49)43-17-11-5-6-12-18-43)35(48)42(4)31(20-25-22-38-28-15-8-7-14-27(25)28)33(46)39-30(21-26-13-9-10-16-37-26)34(47)41(3)23-32(44)45/h7-10,13-16,22,24,29-31,38H,5-6,11-12,17-21,23H2,1-4H3,(H,39,46)(H,40,49)(H,44,45)/p-1/t29-,30-,31+/m1/s1
PubChem CID91669052
ChEMBLN/A
IUPHARN/A
BindingDB50000567
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39766Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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