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Ligand

NameCHEMBL172760
Molecular formulaC34H41N5O4S
IUPAC name2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-benzyl-1,3-thiazole-4-carboxylic acid
Molecular weight615.793
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP6.3
Synonyms2-[(R)-1-[[N-[[(Hexahydro-1H-azepin)-1-yl]carbonyl]-L-leucyl]amino]-2-(1H-indol-3-yl)ethyl]-5-benzylthiazole-4-carboxylic acid
BDBM50049988
SCHEMBL9109959
2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-5-benzyl-thiazole-4-carboxylic acid
Inchi KeyFNOGBKGDOUJWGR-WUFINQPMSA-N
Inchi IDInChI=1S/C34H41N5O4S/c1-22(2)18-27(37-34(43)39-16-10-3-4-11-17-39)31(40)36-28(20-24-21-35-26-15-9-8-14-25(24)26)32-38-30(33(41)42)29(44-32)19-23-12-6-5-7-13-23/h5-9,12-15,21-22,27-28,35H,3-4,10-11,16-20H2,1-2H3,(H,36,40)(H,37,43)(H,41,42)/t27-,28+/m0/s1
PubChem CID10793886
ChEMBLCHEMBL172760
IUPHARN/A
BindingDB50049988
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82769Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
82768Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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