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Ligand

NameCHEMBL3827898
Molecular formulaC28H35NO7S
IUPAC name(1S,1aS,6bR)-6-[(1R)-1-[(2R)-3-[[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
Molecular weight529.648
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP0.0
SynonymsBDBM50190167
SCHEMBL18167655
Inchi KeyDEPPRTSRAWNRFY-CHHKLKOWSA-N
Inchi IDInChI=1S/C28H35NO7S/c1-15-5-7-20(22-23-24(27(31)32)26(23)36-25(15)22)16(2)35-14-19(30)13-29-28(3,4)12-17-6-8-21-18(11-17)9-10-37(21,33)34/h5-8,11,16,19,23-24,26,29-30H,9-10,12-14H2,1-4H3,(H,31,32)/t16-,19-,23+,24+,26+/m1/s1
PubChem CID122636716
ChEMBLCHEMBL3827898
IUPHARN/A
BindingDB50190167
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
523248Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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