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Ligand

NameCHEMBL275167
Molecular formulaC46H56N12O9S2
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-4-methylsulfanyl-2-[3-[4-(2H-tetrazol-5-yl)phenyl]propanoylamino]butanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight985.149
Hydrogen bond acceptor14
Hydrogen bond donor10
XlogP1.7
SynonymsBDBM50011541
3-4-(tetrazol-5-ylphenyl)propanoyl-Met-Gly-Trp-Met-Asp-Phe-NH2
Inchi KeyZYQXGOWSFDOILT-LTLCPEALSA-N
Inchi IDInChI=1S/C46H56N12O9S2/c1-68-20-18-33(50-38(59)17-14-27-12-15-29(16-13-27)42-55-57-58-56-42)43(64)49-26-39(60)51-36(23-30-25-48-32-11-7-6-10-31(30)32)45(66)52-34(19-21-69-2)44(65)54-37(24-40(61)62)46(67)53-35(41(47)63)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,48H,14,17-24,26H2,1-2H3,(H2,47,63)(H,49,64)(H,50,59)(H,51,60)(H,52,66)(H,53,67)(H,54,65)(H,61,62)(H,55,56,57,58)/t33-,34-,35-,36-,37-/m0/s1
PubChem CID14888738
ChEMBLCHEMBL275167
IUPHARN/A
BindingDB50011541
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
440729Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
440728Gastrin/cholecystokinin type B receptorP79266CCKBRBos taurus (Bovine)454

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