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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

Namepindolol
Molecular formulaC14H20N2O2
IUPAC name1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight248.326
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP1.8
SynonymsPectobloc
Pindolol [USAN:INN:BAN:JAN]
Prestwick0_000090
Pynastin
SPBio_001959
[ Show all ]
Inchi KeyJZQKKSLKJUAGIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
PubChem CID4828
ChEMBLCHEMBL500
IUPHAR91
BindingDB50019443
DrugBankDB00960

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity9.76 %PMID17804228ChEMBL
EC5027.0 nMPMID10576696BindingDB,ChEMBL
Efficacy36.0 %PMID10576696ChEMBL
Intrinsic activity13.3 %PMID27865645ChEMBL
Kd63.1 nMPMID19754201ChEMBL
Ki7.94328 nMPMID9550290IUPHAR
Ki15.0 nMPMID2078271BindingDB
Ki17.78 nMPMID7984267PDSP,BindingDB
Ki22.0 nMPMID17804228BindingDB
Ki22.4 nMPMID17804228ChEMBL
Ki22.4 nMPMID17804228PDSP
Ki24.0 nMPMID10576696BindingDB,ChEMBL
Ki28.0 nMPMID8382063PDSP,BindingDB
Ki28.18 nMPMID7984267PDSP,BindingDB
Ki33.11 nMPMID7984267PDSP,BindingDB
Ki33.3 nMPMID8461029PDSP,BindingDB
Ki37.15 nMPMID7984267PDSP,BindingDB
Ki61.1 nMPMID8461029PDSP,BindingDB
Ki61.65 nMPMID7984267PDSP,BindingDB
Ki81.0 nMPMID17804228BindingDB
Ki81.1 nMPMID17804228ChEMBL
Ki81.1 nMPMID17804228PDSP
Ki110.0 nMPMID16220969BindingDB,ChEMBL

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