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Ligand

NameCHEMBL3351053
Molecular formulaC39H49N5O7
IUPAC name(3S)-3-[[(2S)-2-amino-3-naphthalen-1-ylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-methylamino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
Molecular weight699.849
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP2.8
SynonymsN/A
Inchi KeyAKMAQRSSWLEOTI-BBXFGWPUSA-N
Inchi IDInChI=1S/C39H49N5O7/c1-6-7-18-31(37(49)44(5)33(38(50)51-39(2,3)4)21-26-23-41-30-19-11-10-17-28(26)30)42-36(48)32(22-34(45)46)43-35(47)29(40)20-25-15-12-14-24-13-8-9-16-27(24)25/h8-17,19,23,29,31-33,41H,6-7,18,20-22,40H2,1-5H3,(H,42,48)(H,43,47)(H,45,46)/t29-,31-,32-,33-/m0/s1
PubChem CID118719281
ChEMBLCHEMBL3351053
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442012Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
442013Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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