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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3359522
Molecular formulaC24H23ClN2O4
IUPAC name2-[(3R)-4-chloro-6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Molecular weight438.908
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50041982
SCHEMBL2019826
Inchi KeyRWFBHHNEDFDSPE-MRXNPFEDSA-N
Inchi IDInChI=1S/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/m1/s1
PubChem CID67250226
ChEMBLCHEMBL3359522
IUPHARN/A
BindingDB50041982
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
453857Sphingosine 1-phosphate receptor 1O08530S1pr1Mus musculus (Mouse)382
453858Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
453862Sphingosine 1-phosphate receptor 1P48303S1pr1Rattus norvegicus (Rat)383
453863Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
453860Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
453861Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
453859Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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