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Ligand

NameCHEMBL273344
Molecular formulaC47H58N8O11S2
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[3-[4-(carboxymethyl)phenyl]propanoylamino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight975.146
Hydrogen bond acceptor13
Hydrogen bond donor10
XlogP2.0
SynonymsBDBM50011542
SCHEMBL7520294
3-[4-(carboxymethyl)phenyl]propanoyl-Met-Gly-Trp-Met-Asp-Phe-NH2
Inchi KeySIRFEAODYXDUGI-LQWITFIISA-N
Inchi IDInChI=1S/C47H58N8O11S2/c1-67-20-18-34(51-39(56)17-16-28-12-14-30(15-13-28)23-41(58)59)44(63)50-27-40(57)52-37(24-31-26-49-33-11-7-6-10-32(31)33)46(65)53-35(19-21-68-2)45(64)55-38(25-42(60)61)47(66)54-36(43(48)62)22-29-8-4-3-5-9-29/h3-15,26,34-38,49H,16-25,27H2,1-2H3,(H2,48,62)(H,50,63)(H,51,56)(H,52,57)(H,53,65)(H,54,66)(H,55,64)(H,58,59)(H,60,61)/t34-,35-,36-,37-,38-/m0/s1
PubChem CID14888736
ChEMBLCHEMBL273344
IUPHARN/A
BindingDB50011542
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
315341Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
315342Gastrin/cholecystokinin type B receptorP79266CCKBRBos taurus (Bovine)454

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