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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

NameCHEMBL283036
Molecular formulaC19H19F3N4
IUPAC name3-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight360.384
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50099891
L011518
3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
SCHEMBL5196333
Inchi KeyBFQIOOYNLCWKIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)
PubChem CID19958494
ChEMBLCHEMBL283036
IUPHARN/A
BindingDB50099891
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID11378358BindingDB,ChEMBL

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