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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

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
SynonymsNCGC00022902-13
Prestwick0_000350
SBI-0050264.P004
KBio2_005735
SPECTRUM1500685
[ 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
Affinity ratio5.5 -PMID8568801ChEMBL
IC507.8 nMPMID9406603, PMID7473566BindingDB,ChEMBL
IC5012.0 nMPMID10377229BindingDB,ChEMBL
IC5013.0 nMPMID9876110BindingDB,ChEMBL
IC5040.7 nMPMID12361392BindingDB,ChEMBL
IC5072.0 nMPMID7914536ChEMBL
IC5072.0 nMPMID7914536BindingDB
Kd0.6918 nMPMID11754579ChEMBL
Kd0.692 nMPMID11754579BindingDB
Kd2.399 nMPMID9934473ChEMBL
Ki1.25893 nMPMID9655845IUPHAR
Ki1.585 nMPMID10821703ChEMBL
Ki5.0 nMN/ABindingDB
Ki5.012 nMBioorg. Med. Chem. Lett., (1997) 7:7:913, PMID10425088ChEMBL
Ki6.05 nMPMID18603331BindingDB,ChEMBL
Ki6.7 nMPMID12408724BindingDB,ChEMBL
Ki7.586 nMPMID9934473, PMID11754579ChEMBL
Ki7.6 nMPMID9934473BindingDB
Ki8.0 nMPMID7861418, PMID8064797BindingDB,ChEMBL
Ki8.9 nMPMID21816515BindingDB,ChEMBL
Ki9.0 nMPMID10715164BindingDB,ChEMBL
Ki9.4 nMPMID9876110BindingDB,ChEMBL
Ki10.0 nMPMID15771414, PMID11784139, PMID19072656, PMID20481570, PMID14695828BindingDB,ChEMBL
Ki11.6 nMPMID23675993ChEMBL
Ki12.9 nMPMID24487191, MedChemComm, (2015) 6:5:831ChEMBL
Ki13.18 nMPMID17870534ChEMBL
Ki14.0 nMPMID20153652BindingDB,ChEMBL
Ki14.5 nMPMID26483200ChEMBL
Ki15.0 nMPMID26483200BindingDB
Ki15.14 nMPMID8568801ChEMBL
Ki17.0 nMPMID8709107BindingDB,ChEMBL
Ki20.0 nMPMID23353740BindingDB,ChEMBL
Ki21.0 nMPMID23792350ChEMBL
Ki27.54 nMPMID11101359ChEMBL

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