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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

Nameclozapine
Molecular formulaC18H19ClN4
IUPAC name3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular weight326.828
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.1
SynonymsNCGC00015254-20
NCGC00022902-10
NSC757429
s2459
KBio2_002878
[ Show all ]
Inchi KeyQZUDBNBUXVUHMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
PubChem CID135398737
ChEMBLCHEMBL42
IUPHAR38
BindingDB50001884
DrugBankDB00363

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
IC504.195 nMDrugMatrix in vitro pharmacology dataChEMBL
IC5012.0 nMPMID8831770BindingDB,ChEMBL
Ki1.0 - 25.1189 nMPMID8935801, PMID9732398, PMID15322733, PMID12629531, PMID15102927IUPHAR
Ki1.199 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki2.692 nMPMID15261283ChEMBL
Ki3.3 nMPMID14998318BindingDB,ChEMBL
Ki4.0 nMPMID11170639BindingDB,ChEMBL
Ki4.84 nMPMID22268448BindingDB,ChEMBL
Ki5.0 nMPMID8831770BindingDB,ChEMBL
Ki5.012 nMPMID17880057ChEMBL
Ki5.35 nMPMID26227779ChEMBL
Ki5.4 nMPMID26227779BindingDB
Ki6.3 nMPMID15771415BindingDB,ChEMBL
Ki7.3 nMPMID24365159ChEMBL
Ki7.413 nMPMID24365159ChEMBL
Ki7.8 nMPMID14695828BindingDB,ChEMBL
Ki8.57 nMMed Chem Res, (2013) 22:2:520ChEMBL
Ki8.9 nMPMID18595716BindingDB,ChEMBL
Ki9.1 nMPMID23301527, PMID14741248BindingDB,ChEMBL
Ki9.12 nMPMID18783204, PMID23301527, PMID24316025, PMID19796944, PMID17588750, PMID14741248, MedChemComm, (2011) 2:12:1194BindingDB,ChEMBL
Ki9.6 nM, PMID24559051, NoneBindingDB,ChEMBL
Ki10.0 nMPMID25343529BindingDB
Ki10.0 nMMedChemComm, (2012) 3:5:580, PMID25343529ChEMBL
Ki15.0 nMPMID27261181, MedChemComm, (2015) 6:4:601BindingDB,ChEMBL
Ki18.0 nMPMID25695425BindingDB,ChEMBL
Ki36.0 nMPMID23301527BindingDB,ChEMBL
Ki36.31 nMPMID23301527ChEMBL
Ratio1.21 -PMID11784139ChEMBL

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