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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

NameIPSAPIRONE
Molecular formulaC19H23N5O3S
IUPAC name1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
Molecular weight401.485
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.5
SynonymsZINC1999529
2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
AC1L1M24
BDBM50005127
CCG-220609
[ Show all ]
Inchi KeyTZJUVVIWVWFLCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
PubChem CID56971
ChEMBLCHEMBL8412
IUPHAR42
BindingDB50005127
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5067.61 nMPMID9873561ChEMBL
EC5068.0 nMPMID9873561BindingDB
Efficacy0.0 %PMID9873561ChEMBL
Efficacy69.0 %PMID9873561ChEMBL
Kd3.981 nMPMID19754201ChEMBL
Ki0.23 nMPMID7984267BindingDB
Ki1.12 nMPMID7984267BindingDB
Ki1.58489 - 2.51189 nMPMID9760039, PMID9550290IUPHAR
Ki3.85 nMPMID8461029BindingDB
Ki3.89 nMPMID7984267BindingDB
Ki6.0 nMPMID16722631BindingDB,ChEMBL
Ki6.45 nMPMID7984267BindingDB
Ki10.0 nMPMID2078271BindingDB
Ki23.98 nMPMID7984267BindingDB
Ki45.2 nMPMID8461029BindingDB
Ki45.7 nMPMID7984267BindingDB
Ki130.0 nMPMID8155646BindingDB

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