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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

Name5-Carboxamidotryptamine
Molecular formulaC11H13N3O
IUPAC name3-(2-aminoethyl)-1H-indole-5-carboxamide
Molecular weight203.245
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP-0.6
SynonymsAKOS027380025
CHEMBL18840
LS-82468
NCGC00024598-03
ZINC2539813
[ Show all ]
Inchi KeyWKZLNEWVIAGNAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
PubChem CID1809
ChEMBLCHEMBL18840
IUPHAR4
BindingDB21392
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
%max96.0 -PMID18817363ChEMBL
IC500.2951 nMBioorg. Med. Chem. Lett., (1994) 4:10:1207ChEMBL
IC500.3 nMN/ABindingDB
Kd0.3981 nMPMID19754201ChEMBL
Ki0.0501187 - 0.398107 nMPMID1386736, PMID9760039, PMID9550290, PMID9205951IUPHAR
Ki0.2 nMPMID2078271BindingDB
Ki>0.3 nMPMID10753471ChEMBL
Ki0.34 nMPMID7984267PDSP,BindingDB
Ki0.39 nMHoyer et al., PMID1986PDSP
Ki0.4 nMHoyer et al., PMID1986PDSP
Ki0.52 nMPMID7984267PDSP,BindingDB
Ki0.53 nMPMID8461029PDSP
Ki0.631 nMPMID14613313ChEMBL
Ki0.85 nMPMID7984267PDSP
Ki17.37 nMPMID7984267PDSP,BindingDB
Ki17.5 nMPMID8461029PDSP,BindingDB
Max96.0 %PMID10514291, PMID10425105ChEMBL
pD28.45 -PMID10514291, PMID10425105, PMID18817363ChEMBL
pKD9.5 -PMID8515429ChEMBL

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