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Ligand

NameCHEMBL267138
Molecular formulaC55H77N15O9S
IUPAC name(2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-formylamino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight1124.38
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP2.7
SynonymsN/A
Inchi KeyNNQHLHQIYSIEOC-IIFPOFRESA-N
Inchi IDInChI=1S/C55H77N15O9S/c1-32(2)19-39(28-70(31-71)46(49(56)73)17-18-80-7)65-53(77)44(22-37-25-58-29-62-37)66-47(72)27-61-55(79)48(33(3)4)69-50(74)34(5)64-52(76)43(21-36-24-60-41-16-12-11-15-40(36)41)67-54(78)45(23-38-26-59-30-63-38)68-51(75)42(57-6)20-35-13-9-8-10-14-35/h8-16,24-26,29-34,39,42-46,48,57,60H,17-23,27-28H2,1-7H3,(H2,56,73)(H,58,62)(H,59,63)(H,61,79)(H,64,76)(H,65,77)(H,66,72)(H,67,78)(H,68,75)(H,69,74)/t34-,39-,42-,43-,44-,45-,46-,48-/m0/s1
PubChem CID44361863
ChEMBLCHEMBL267138
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
227899Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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