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Ligand

NameCHEMBL3350686
Molecular formulaC29H39N3O5
IUPAC name(2-methylcyclohexyl) N-[(2R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate;hydrate
Molecular weight509.647
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyABZVZPIJQNLYSC-NJYQPYITSA-N
Inchi IDInChI=1S/C29H37N3O4.H2O/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21;/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35);1H2/t20?,23-,26?,29+;/m0./s1
PubChem CID118719078
ChEMBLCHEMBL3350686
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441720Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
441719Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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