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Ligand

NameCHEMBL266535
Molecular formulaC58H71F3N14O8
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)-3-(1H-imidazol-5-yl)-2-[3-[3-(trifluoromethyl)phenyl]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight1149.29
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP4.2
SynonymsBDBM50040310
3-CF3PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2
Inchi KeySWFYCOJFYNBEOD-XUTJKUKESA-N
Inchi IDInChI=1S/C58H71F3N14O8/c1-33(2)50(56(82)70-34(3)52(78)73-48(26-41-29-64-32-68-41)57(83)75-21-11-16-42(75)30-66-45(51(62)77)23-36-12-6-5-7-13-36)74-53(79)35(4)69-54(80)46(24-38-27-65-44-18-9-8-17-43(38)44)72-55(81)47(25-40-28-63-31-67-40)71-49(76)20-19-37-14-10-15-39(22-37)58(59,60)61/h5-10,12-15,17-18,22,27-29,31-35,42,45-48,50,65-66H,11,16,19-21,23-26,30H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t34-,35+,42-,45+,46+,47+,48+,50+/m1/s1
PubChem CID10011511
ChEMBLCHEMBL266535
IUPHARN/A
BindingDB50040310
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
324849Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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