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Ligand

NameCHEMBL176514
Molecular formulaC31H35N5O5
IUPAC name2-[(1R)-1-[[(2S)-2-(2,3-dihydroindole-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
Molecular weight557.651
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.5
Synonyms2-[(R)-1-[[N-[[(2,3-Dihydro-1H-indol)-1-yl]carbonyl]-L-leucyl]amino]-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyloxazole-4-carboxylic acid
BDBM50050026
SCHEMBL9277232
2-[(R)-1-{(S)-2-[(2,3-Dihydro-indole-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
Inchi KeyFHXIXSZXNFMTLA-BJKOFHAPSA-N
Inchi IDInChI=1S/C31H35N5O5/c1-18(2)15-23(33-31(40)36-14-13-20-9-5-7-11-25(20)36)28(37)32-24(29-34-27(30(38)39)19(3)41-29)16-21-17-35(4)26-12-8-6-10-22(21)26/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,32,37)(H,33,40)(H,38,39)/t23-,24+/m0/s1
PubChem CID10415348
ChEMBLCHEMBL176514
IUPHARN/A
BindingDB50050026
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
78775Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
78774Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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