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Ligand

NameCHEMBL3827577
Molecular formulaC27H35NO5S
IUPAC name(1S,1aS,6bR)-6-[(1R)-1-[(2R)-2-hydroxy-3-[(2-methyl-4-phenylsulfanylbutan-2-yl)amino]propoxy]ethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
Molecular weight485.639
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.4
SynonymsBDBM50190165
SCHEMBL18167638
Inchi KeyDFZAHFFFYUNVCF-VKPAFFLJSA-N
Inchi IDInChI=1S/C27H35NO5S/c1-16-10-11-20(21-22-23(26(30)31)25(22)33-24(16)21)17(2)32-15-18(29)14-28-27(3,4)12-13-34-19-8-6-5-7-9-19/h5-11,17-18,22-23,25,28-29H,12-15H2,1-4H3,(H,30,31)/t17-,18-,22+,23+,25+/m1/s1
PubChem CID122636699
ChEMBLCHEMBL3827577
IUPHARN/A
BindingDB50190165
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
523264Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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