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Ligand

NameCHEMBL2369709
Molecular formulaC43H58N8O9
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular weight830.984
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP2.7
SynonymsBDBM50366424
Inchi KeyBWWOWLFWAYYUTP-YKMRINICSA-N
Inchi IDInChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
PubChem CID10033429
ChEMBLCHEMBL2369709
IUPHARN/A
BindingDB50366424
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34795Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
34796Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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