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GPCR

Name5-hydroxytryptamine receptor 2A
SpeciesRattus norvegicus (Rat)
GeneHtr2a
Synonymserotonin 5HT-2 receptor
5Ht-2
'D' receptor
5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled
5-HT2A receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length471
Amino acid sequenceMEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProtP14842
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL322
IUPHAR6
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
SynonymsMcM-JR-1625
Halol
MolPort-000-883-311
Haloperidol 1.0 mg/ml in Methanol
NCGC00015500-06
[ 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
IC5055.0 nMPMID9406603, PMID10377229, PMID7783131BindingDB,ChEMBL
IC50104.0 nMPMID9876110BindingDB,ChEMBL
IC50125.0 nMPMID12361392BindingDB,ChEMBL
IC50129.0 nMPMID7914536BindingDB,ChEMBL
Ki15.84 nMPMID7908055BindingDB
Ki19.95 nMBioorg. Med. Chem. Lett., (1997) 7:7:913, PMID10966742, PMID10425088, Bioorg. Med. Chem. Lett., (1995) 5:6:579, PMID9934473, PMID7914540ChEMBL
Ki20.0 nM, PMID1347569, PMID8524985, PMID9934473BindingDB
Ki25.0 nMPMID8935801, PMID9430133BindingDB
Ki26.8 nMPMID8093723BindingDB
Ki27.0 nMPMID7520908BindingDB
Ki28.0 nMPMID9430133BindingDB
Ki34.0 nMPMID9686407BindingDB
Ki34.67 nMPMID17869521ChEMBL
Ki36.0 nMPMID2869639BindingDB
Ki39.8107 nMPMID9655845IUPHAR
Ki44.67 nMPMID8568801ChEMBL
Ki45.0 nMPMID8997630, PMID8568801BindingDB,ChEMBL
Ki49.0 nMPMID12408724BindingDB,ChEMBL
Ki52.0 nMPMID12482418BindingDB
Ki52.48 nMPMID12482418, PMID11101359, PMID11754579ChEMBL
Ki72.0 nMPMID8996185BindingDB
Ki75.0 nMPMID9876110BindingDB,ChEMBL
Ki78.0 nMPMID8822531BindingDB
Ki83.18 nMPMID17300168ChEMBL
Ki87.0 nMPMID8709107BindingDB,ChEMBL
Ki125.89 nMPMID7984267BindingDB
Ki164.0 nMPMID15771414, PMID11784139, PMID19072656, PMID14695828BindingDB,ChEMBL
Ki165.96 nMPMID11784139ChEMBL
Ki549.54 nMPMID9225287BindingDB

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