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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesHomo sapiens (Human)
GeneHTR1A
Synonym5-HT-1A
5-HT1A
serotonin receptor 1A
5-HT1A receptor
5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
[ Show all ]
DiseaseUrinary incontinence
Generalized anxiety disorder
Generalized anxiety disorder; Social phobia
Hypertension
Hypoactive sexual desire disorder
[ Show all ]
Length422
Amino acid sequenceMDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProtP08908
Protein Data BankN/A
GPCR-HGmod modelP08908
3D structure modelThis predicted structure model is from GPCR-EXP P08908.
BioLiPN/A
Therapeutic Target DatabaseT78709
ChEMBLCHEMBL214
IUPHAR1
DrugBankBE0000291

Ligand

NameCHEMBL3758684
Molecular formulaC23H30ClN3O2
IUPAC name1-(3-chlorophenyl)-3-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]urea
Molecular weight415.962
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50143393
Inchi KeyAIIBCWUCPICMSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30ClN3O2/c1-17(2)21-8-3-4-9-22(21)29-15-14-27-12-10-19(11-13-27)25-23(28)26-20-7-5-6-18(24)16-20/h3-9,16-17,19H,10-15H2,1-2H3,(H2,25,26,28)
PubChem CID127026144
ChEMBLCHEMBL3758684
IUPHARN/A
BindingDB50143393
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki591.0 nMPMID26698537BindingDB,ChEMBL

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