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GPCR

Name5-hydroxytryptamine receptor 2A
SpeciesHomo sapiens (Human)
GeneHTR2A
Synonym5-HT-2
serotonin receptor 2A
serotonin 5HT-2 receptor
5-HT-2A
5-HT2A receptor
[ Show all ]
DiseaseDepression
Unspecified
Diabetes
Erythropoietic porphyria
Fibromyalgia
[ Show all ]
Length471
Amino acid sequenceMDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProtP28223
Protein Data Bank6a93, 6a94
GPCR-HGmod modelP28223
3D structure modelThis structure is from PDB ID 6a93.
BioLiPBL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target DatabaseT32060
ChEMBLCHEMBL224
IUPHAR6
DrugBankBE0000451

Ligand

Nameritanserin
Molecular formulaC27H25F2N3OS
IUPAC name6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Molecular weight477.574
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.2
Synonyms87051-43-2
Tiserton
Ritanserine
Ritanserina
Ritanserinum
[ Show all ]
Inchi KeyJUQLTPCYUFPYKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
PubChem CID5074
ChEMBLCHEMBL267777
IUPHAR97
BindingDB50001775
DrugBankDB12693

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
IC500.069 nMPMID16469866BindingDB
Ki0.01 nMPMID7582481PDSP,BindingDB
Ki0.083 nMPMID16469866BindingDB
Ki0.25 nMPMID9225287PDSP,BindingDB
Ki0.398107 nMPMID10188965IUPHAR
Ki1.0 nMPMID7582481PDSP,BindingDB
Ki1.09 nMPMID7984267PDSP,BindingDB
Ki1.26 nMHoyer et al., PMID1987PDSP
Ki4.57 nMPMID15322733BindingDB
Ki4.57088 nMPMID15322733PDSP
Ki5.01187 nMPMID15322733IUPHAR
Ki6.3 nMElliot & Kent, PMID1989PDSP

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