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Ligand

NameCHEMBL367989
Molecular formulaC30H41N5O5
IUPAC name2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-propyl-1,3-oxazole-4-carboxylic acid
Molecular weight551.688
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP4.9
Synonyms2-[(R)-1-[[N-[[(Hexahydro-1H-azepin)-1-yl]carbonyl]-L-leucyl]amino]-2-(1H-indol-3-yl)ethyl]-5-propyloxazole-4-carboxylic acid
BDBM50049997
SCHEMBL9110190
2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-5-propyl-oxazole-4-carboxylic acid
Inchi KeyFANQEOMAOLAPAO-BJKOFHAPSA-N
Inchi IDInChI=1S/C30H41N5O5/c1-4-11-25-26(29(37)38)34-28(40-25)24(17-20-18-31-22-13-8-7-12-21(20)22)32-27(36)23(16-19(2)3)33-30(39)35-14-9-5-6-10-15-35/h7-8,12-13,18-19,23-24,31H,4-6,9-11,14-17H2,1-3H3,(H,32,36)(H,33,39)(H,37,38)/t23-,24+/m0/s1
PubChem CID10626522
ChEMBLCHEMBL367989
IUPHARN/A
BindingDB50049997
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
73572Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
73571Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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