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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

NameCHEBI:48565
Molecular formulaC21H26N2O3
IUPAC namemethyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight354.45
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
Synonyms4CN-1339
AN-51049
HMS3372A16
Methyl 17-hydroxyyohimban-16-carboxylate
NCGC00015878-06!methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
[ Show all ]
Inchi KeyBLGXFZZNTVWLAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3
PubChem CID2866
ChEMBLN/A
IUPHARN/A
BindingDB86230
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki50.11 nMPMID10611634PDSP
Ki642.0 nMPMID9686407PDSP
Ki1258.92 nMPMID10611634PDSP
Ki1500.0 nMPMID8155646PDSP

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