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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

NameMLS000731975
Molecular formulaC24H31N3O2
IUPAC nameethyl 4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate
Molecular weight393.531
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsSMR000319141
ethyl 4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate
CHEMBL1720300
4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester
ethyl 4-(cyclopropylmethyl)-1-{[2-(2-methylphenyl)pyrimidin-5-yl]methyl}piperidine-4-carboxylate
[ Show all ]
Inchi KeyAVQYMSDSZMZIHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N3O2/c1-3-29-23(28)24(14-19-8-9-19)10-12-27(13-11-24)17-20-15-25-22(26-16-20)21-7-5-4-6-18(21)2/h4-7,15-16,19H,3,8-14,17H2,1-2H3
PubChem CID16191646
ChEMBLCHEMBL1720300
IUPHARN/A
BindingDB83357
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<92489.0 nMPubChem BioAssay data setChEMBL

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