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Ligand

NameCHEMBL385969
Molecular formulaC46H67N15O9
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-acetamido-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-aminopentanediamide
Molecular weight974.138
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP-0.8
SynonymsN/A
Inchi KeyQMZGLLMQGAUZHE-KGAUIJFISA-N
Inchi IDInChI=1S/C46H67N15O9/c1-24(2)13-31(20-51-27(6)62)57-44(68)36(15-29-18-49-22-54-29)58-39(64)21-53-46(70)40(25(3)4)61-41(65)26(5)56-43(67)35(14-28-17-52-34-10-8-7-9-32(28)34)60-45(69)37(16-30-19-50-23-55-30)59-42(66)33(47)11-12-38(48)63/h7-10,17-19,22-26,31,33,35-37,40,52H,11-16,20-21,47H2,1-6H3,(H2,48,63)(H,49,54)(H,50,55)(H,51,62)(H,53,70)(H,56,67)(H,57,68)(H,58,64)(H,59,66)(H,60,69)(H,61,65)/t26-,31-,33-,35-,36-,37-,40-/m0/s1
PubChem CID44361729
ChEMBLCHEMBL385969
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
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GLASS IDNameUniProtGeneSpeciesLength
282188Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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