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Ligand

NameCHEMBL304177
Molecular formulaC44H64N12O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-3-(1H-imidazol-5-yl)-1-(nonan-5-ylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight873.073
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP2.8
SynonymsBDBM50012297
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[1-(1-butyl-pentylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide
Inchi KeyZRLBFYYYALPPHU-QFJONTTISA-N
Inchi IDInChI=1S/C44H64N12O7/c1-7-9-13-30(14-10-8-2)53-42(61)37(19-32-22-46-25-50-32)54-38(58)23-48-44(63)39(26(3)4)56-40(59)27(5)51-41(60)35(17-29-20-47-34-16-12-11-15-33(29)34)55-43(62)36(52-28(6)57)18-31-21-45-24-49-31/h11-12,15-16,20-22,24-27,30,35-37,39,47H,7-10,13-14,17-19,23H2,1-6H3,(H,45,49)(H,46,50)(H,48,63)(H,51,60)(H,52,57)(H,53,61)(H,54,58)(H,55,62)(H,56,59)/t27-,35-,36-,37-,39-/m0/s1
PubChem CID44307187
ChEMBLCHEMBL304177
IUPHARN/A
BindingDB50012297
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
435683Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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