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Ligand

NameCHEMBL2370119
Molecular formulaC49H61N9O12S2
IUPAC name(3S)-3-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-acetamido-3-[3-(carboxymethyl)phenyl]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1032.2
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP1.4
SynonymsAc-(R,S)Phe(3-CH2COOH)-Met-Gly-Trp-Met-Asp-Phe-NH2
BDBM50011544
Inchi KeyGEGZFSYBTXFUAH-CUXSNQIGSA-N
Inchi IDInChI=1S/C49H61N9O12S2/c1-28(59)53-38(22-30-12-9-13-31(20-30)23-42(61)62)47(68)55-35(16-18-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-15-8-7-14-33(32)34)48(69)56-36(17-19-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-10-5-4-6-11-29/h4-15,20,26,35-40,51H,16-19,21-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36+,37-,38?,39-,40-/m0/s1
PubChem CID73353006
ChEMBLCHEMBL2370119
IUPHARN/A
BindingDB50011544
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
94332Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
94333Gastrin/cholecystokinin type B receptorP79266CCKBRBos taurus (Bovine)454

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