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Ligand

Name5235-21-2
Molecular formulaC34H44N6O8S
IUPAC name4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight696.82
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP2.3
SynonymsBoc-Trp-Met-Asp-Phe amide, >=97% (HPLC)
4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
AC1MUDPA
CHEMBL140850
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid(Boc-CCK4)
[ Show all ]
Inchi KeyDDROKKYSSQPXQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)
PubChem CID3616754
ChEMBLN/A
IUPHARN/A
BindingDB50011196
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57396Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
519958Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
57395Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
57398Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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