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GPCR

Name5-hydroxytryptamine receptor 5A
SpeciesMus musculus (Mouse)
GeneHtr5a
SynonymMR22
Htr5
5HT5-
5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled
5-HT5alpha
[ Show all ]
DiseaseN/A for non-human GPCRs
Length357
Amino acid sequenceMDLPVNLTSFSLSTPSSLEPNRSLDTEVLRPSRPFLSAFRVLVLTLLGFLAAATFTWNLLVLATILKVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRTRKRVSNVMILLTWALSTVISLAPLLFGWGETYSEPSEECQVSREPSYTVFSTVGAFYLPLCVVLFVYWKIYRAAKFRMGSRKTNSVSPVPEAVEVKNATQHPQMVFTVRHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDVPAIWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ
UniProtP30966
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3597
IUPHAR10
DrugBankN/A

Ligand

NameCHEMBL97518
Molecular formulaC22H29N3O2
IUPAC name(6aR,9R)-N-[(2R)-2-(hydroxymethyl)-2-methylbutyl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight367.493
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.9
Synonyms7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (2-hydroxymethyl-2-methyl-butyl)-amide
BDBM50130271
Inchi KeyMLGNCAXDEPBXNR-YIFZBPKDSA-N
Inchi IDInChI=1S/C22H29N3O2/c1-4-22(2,13-26)12-24-21(27)15-8-17-16-6-5-7-18-20(16)14(10-23-18)9-19(17)25(3)11-15/h5-8,10,15,19,23,26H,4,9,11-13H2,1-3H3,(H,24,27)/t15-,19-,22-/m1/s1
PubChem CID44327952
ChEMBLCHEMBL97518
IUPHARN/A
BindingDB50130271
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki63.0 nMPMID12825922BindingDB,ChEMBL

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