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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

NameKetanserin
Molecular formulaC22H22FN3O3
IUPAC name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
Molecular weight395.434
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsTaseron
[3H]-Ketanserin
Ketanserin (USAN/INN)
3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione
Ketanserine
[ Show all ]
Inchi KeyFPCCSQOGAWCVBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
PubChem CID3822
ChEMBLCHEMBL51
IUPHAR88, 197
BindingDB21395
DrugBankDB12465

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.4 nMPMID8960552BindingDB,ChEMBL
Kd0.2818 nMBioorg. Med. Chem. Lett., (1995) 5:7:667ChEMBL
Kd1.349 nMPMID11754579ChEMBL
Kd1.35 nMPMID11754579BindingDB
Kd1.58489 nMPMID11040033IUPHAR
Ki0.47 nMPMID24050112ChEMBL
Ki0.49 nMPMID17900912BindingDB,ChEMBL
Ki0.75 nMPMID1347569BindingDB
Ki0.85 nMPMID27061981, PMID26820556BindingDB
Ki0.85 nMPMID19954866, PMID22133459, PMID27061981, PMID21440338, PMID26820556BindingDB,ChEMBL
Ki0.89 nMPMID9225287BindingDB
Ki1.0 nMPMID7984267BindingDB
Ki1.0 - 2.51189 nMPMID11040033, PMID9655845IUPHAR
Ki1.04 nMPMID6645787BindingDB
Ki1.07 nMPMID6645787BindingDB
Ki1.2 nMPMID2795135BindingDB
Ki1.25 nMPMID7582481BindingDB
Ki1.29 nMPMID6645787BindingDB
Ki1.5 nMPMID11354383BindingDB,ChEMBL
Ki1.6 nMPMID9686407BindingDB
Ki1.99 nMPMID7984267BindingDB
Ki3.2 nMPMID2877462BindingDB
Ki3.5 nMPMID17649988BindingDB,ChEMBL
Ki3.98 nMPMID7984267BindingDB
Ki5.01 nMPMID7984267BindingDB
Ki5.129 nMPMID11754579ChEMBL
Ki14.5 nMPMID1501121BindingDB
Ki192.0 nMPMID2531826BindingDB

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