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Ligand

NameCHEMBL438190
Molecular formulaC57H72N14O9
IUPAC name(2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight1097.29
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP3.0
SynonymsBDBM50040301
4-OHPhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2
BW-1023U-90
Inchi KeyWPFASEWGOGSMSX-QRZYSCAJSA-N
Inchi IDInChI=1S/C57H72N14O9/c1-33(2)50(56(79)66-34(3)52(75)69-48(26-40-29-60-32-64-40)57(80)71-22-10-13-41(71)30-62-45(51(58)74)23-37-11-6-5-7-12-37)70-53(76)35(4)65-54(77)46(24-38-27-61-44-15-9-8-14-43(38)44)68-55(78)47(25-39-28-59-31-63-39)67-49(73)21-18-36-16-19-42(72)20-17-36/h5-9,11-12,14-17,19-20,27-29,31-35,41,45-48,50,61-62,72H,10,13,18,21-26,30H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H,69,75)(H,70,76)/t34-,35+,41-,45+,46+,47+,48+,50+/m1/s1
PubChem CID10034143
ChEMBLCHEMBL438190
IUPHARN/A
BindingDB50040301
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
378966Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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