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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesRattus norvegicus (Rat)
GeneHtr1a
Synonym5-HT1A receptor
5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
5-HT1A
ADRB2RL1
ADRBRL1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length422
Amino acid sequenceMDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProtP19327
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL273
IUPHAR1
DrugBankN/A

Ligand

Namehaloperidol
Molecular formulaC21H23ClFNO2
IUPAC name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular weight375.868
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsPekuces
KBio2_004958
Pms Haloperidol
KBioSS_002395
Probes2_000296
[ Show all ]
Inchi KeyLNEPOXFFQSENCJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PubChem CID3559
ChEMBLCHEMBL54
IUPHAR86
BindingDB21398
DrugBankDB00502

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID10743959, PMID1676427BindingDB,ChEMBL
IC501993.0 nMPMID12361392BindingDB,ChEMBL
IC503200.0 nMPMID7783131BindingDB,ChEMBL
IC506210.0 nMPMID1672156BindingDB,ChEMBL
IC507000.0 nMPMID7914539, PMID8568802, PMID8676355BindingDB,ChEMBL
IC507079.0 nMPMID8831770, PMID7914536BindingDB,ChEMBL
IC507079.0 nMPMID7914536BindingDB
Ki<500.0 nMPMID10464021BindingDB,ChEMBL
Ki<1000.0 nMPMID9622541, PMID7909336BindingDB,ChEMBL
Ki401.0 nMPMID1346653, PMID7473548, PMID7473547BindingDB,ChEMBL
Ki1698.24 nMPMID17300168ChEMBL
Ki1800.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:12:1245, PMID19072656BindingDB,ChEMBL
Ki1900.0 nMPMID8709107BindingDB,ChEMBL
Ki2390.0 nMPMID10649982BindingDB,ChEMBL
Ki2500.0 nMPMID8996185BindingDB
Ki2600.0 nMPMID9430133BindingDB
Ki3080.0 nMPMID8935801BindingDB
Ki3548.13 nMPMID6225026BindingDB
Ki4168.69 nMPMID6225026BindingDB
Ki5750.0 nMPMID1353116BindingDB,ChEMBL
Ki7930.0 nMPMID8822531BindingDB
Ki8400.0 nMPMID9876110BindingDB,ChEMBL
Ki9110.0 nMPMID2869639BindingDB

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