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GPCR

Name5-hydroxytryptamine receptor 5A
SpeciesHomo sapiens (Human)
GeneHTR5A
Synonym5-HT5alpha
5-HT-5
MR22
Htr5
5-HT-5A
[ Show all ]
DiseaseN/A
Length357
Amino acid sequenceMDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH
UniProtP47898
Protein Data BankN/A
GPCR-HGmod modelP47898
3D structure modelThis predicted structure model is from GPCR-EXP P47898.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3426
IUPHAR10
DrugBankBE0004688

Ligand

NamePaliperidone
Molecular formulaC23H27FN4O3
IUPAC name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular weight426.492
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.2
SynonymsSR-02000000862
BC677689
CHEBI:83804
(+/-)-3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
I14-1945
[ Show all ]
Inchi KeyPMXMIIMHBWHSKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
PubChem CID115237
ChEMBLCHEMBL1621
IUPHARN/A
BindingDB50252513
DrugBankDB01267

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki277.9 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP

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