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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

NameSERTINDOLE
Molecular formulaC24H26ClFN4O
IUPAC name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Molecular weight440.947
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
SynonymsBCP27121
CHEMBL12713
DSSTox_GSID_48967
GZKLJWGUPQBVJQ-UHFFFAOYSA-N
Lu 23-174
[ Show all ]
Inchi KeyGZKLJWGUPQBVJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
PubChem CID60149
ChEMBLCHEMBL12713
IUPHAR98
BindingDB50001786
DrugBankDB06144

Structure

SDF download

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

Known GPCRs

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Total entries: 50
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GLASS IDNameUniProtGeneSpeciesLength
1091505-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1091535-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1091175-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1091595-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1091385-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1091395-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1091265-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1091205-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1091605-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1091245-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1091565-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
1091275-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1091425-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
1091315-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
1091485-hydroxytryptamine receptor 7P32304Htr7Mus musculus (Mouse)448
5558915-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
109118Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
109132Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
109135Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
109116Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520

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