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Ligand

NameCHEMBL172543
Molecular formulaC33H40N6O5
IUPAC name(2R)-2-[[2-[(1S)-1-(azepane-1-carbonylamino)-3-methylbutyl]-5-(1-methylindol-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-pyridin-2-ylpropanoic acid
Molecular weight600.72
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.3
SynonymsBDBM50049984
(R)-2-{[2-{(S)-1-[(Azepane-1-carbonyl)-amino]-3-methyl-butyl}-5-(1-methyl-1H-indol-3-yl)-oxazole-4-carbonyl]-amino}-3-pyridin-2-yl-propionic acid
Inchi KeyASXATNKZOAJLHC-IZZNHLLZSA-N
Inchi IDInChI=1S/C33H40N6O5/c1-21(2)18-25(36-33(43)39-16-10-4-5-11-17-39)31-37-28(29(44-31)24-20-38(3)27-14-7-6-13-23(24)27)30(40)35-26(32(41)42)19-22-12-8-9-15-34-22/h6-9,12-15,20-21,25-26H,4-5,10-11,16-19H2,1-3H3,(H,35,40)(H,36,43)(H,41,42)/t25-,26+/m0/s1
PubChem CID10675093
ChEMBLCHEMBL172543
IUPHARN/A
BindingDB50049984
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13612Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
13611Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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