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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL2113386
Molecular formulaC20H22IN3O2S
IUPAC name1-(2-iodophenyl)-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
Molecular weight495.379
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.5
SynonymsN/A
Inchi KeyDXNOFPQQCQAJFH-MRXNPFEDSA-N
Inchi IDInChI=1S/C20H22IN3O2S/c21-19-6-2-1-4-14(19)13-27(25,26)24-17-7-8-20-18(11-17)15(12-23-20)10-16-5-3-9-22-16/h1-2,4,6-8,11-12,16,22-24H,3,5,9-10,13H2/t16-/m1/s1
PubChem CID71459954
ChEMBLCHEMBL2113386
IUPHARN/A
BindingDBN/A
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
714485-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
714525-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
714515-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
714445-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
714475-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
714495-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
714465-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
714545-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
71445D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
71450D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
71453D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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