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Ligand

NameCHEMBL293178
Molecular formulaC32H38N4O5S
IUPAC name2-adamantyl N-[1-[[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-2-methyl-1-oxo-3-[4-(thiadiazol-4-yl)phenyl]propan-2-yl]carbamate
Molecular weight590.739
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.3
Synonyms[1-((1R,2R)-2-Hydroxy-1-hydroxymethyl-2-phenyl-ethylcarbamoyl)-1-methyl-2-(4-[1,2,3]thiadiazol-4-yl-phenyl)-ethyl]-carbamic acid adamantan-2-yl ester
BDBM50289878
Inchi KeyDRMFULCMYXHBOQ-NHONPZHLSA-N
Inchi IDInChI=1S/C32H38N4O5S/c1-32(16-19-7-9-22(10-8-19)27-18-42-36-35-27,30(39)33-26(17-37)28(38)23-5-3-2-4-6-23)34-31(40)41-29-24-12-20-11-21(14-24)15-25(29)13-20/h2-10,18,20-21,24-26,28-29,37-38H,11-17H2,1H3,(H,33,39)(H,34,40)/t20?,21?,24?,25?,26-,28-,29?,32?/m1/s1
PubChem CID44303237
ChEMBLCHEMBL293178
IUPHARN/A
BindingDB50289878
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
67128Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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