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Ligand

NameCHEMBL176565
Molecular formulaC29H40N6O4
IUPAC name2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
Molecular weight536.677
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.9
SynonymsBDBM50050040
Azepane-1-carboxylic acid {(S)-1-[(R)-2-(1H-indol-3-yl)-1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-ethylcarbamoyl]-3-methyl-butyl}-amide
2-[(R)-1-[[N-[[(Hexahydro-1H-azepin)-1-yl]carbonyl]-L-leucyl]amino]-2-(1H-indol-3-yl)ethyl]-N,5-dimethyloxazole-4-carboxamide
Inchi KeyGJMWRNQOTARVKK-BJKOFHAPSA-N
Inchi IDInChI=1S/C29H40N6O4/c1-18(2)15-23(33-29(38)35-13-9-5-6-10-14-35)26(36)32-24(28-34-25(19(3)39-28)27(37)30-4)16-20-17-31-22-12-8-7-11-21(20)22/h7-8,11-12,17-18,23-24,31H,5-6,9-10,13-16H2,1-4H3,(H,30,37)(H,32,36)(H,33,38)/t23-,24+/m0/s1
PubChem CID10506524
ChEMBLCHEMBL176565
IUPHARN/A
BindingDB50050040
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
98071Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
98072Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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