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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

Namechlorpromazine
Molecular formulaC17H19ClN2S
IUPAC name3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Molecular weight318.863
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.2
Synonyms3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
Psychozine
DB00477
L000182
SCHEMBL8321
[ Show all ]
Inchi KeyZPEIMTDSQAKGNT-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
PubChem CID2726
ChEMBLCHEMBL71
IUPHAR83
BindingDB50001888
DrugBankDB00477

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
IC503.4 nMPMID23919353ChEMBL
IC503.851 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki1.1 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki1.4 nMWander et al., PMID1987PDSP
Ki1.8 nMPMID9577836, http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6PDSP,BindingDB
Ki2.0 nMhttp://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6PDSP
Ki2.75 nMPMID16051647PDSP
Ki2.8 nMhttp://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6PDSP
Ki3.5 nMPMID9015795PDSP
Ki5.4 nMAndorn et al., PMID1984PDSP
Ki5.888 nMPMID24365159ChEMBL
Ki5.9 nMPMID24365159ChEMBL
Ki6.31 nMPMID17880057ChEMBL
Ki7.94328 nMPMID12629531IUPHAR
Ki8.0 nMPMID12629531PDSP,BindingDB
Ki111.3 nMElliot & Kent, PMID1989PDSP

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