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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

Name5-METHOXYTRYPTAMINE
Molecular formulaC11H14N2O
IUPAC name2-(5-methoxy-1H-indol-3-yl)ethanamine
Molecular weight190.246
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP0.5
Synonyms08M071
1H-Indole-3-ethanamine, 5-methoxy-
1H-Indole-3-ethanamine, 5-methoxy- (9CI)
2-(5-METHOXY-1H-INDOL-3-YL)-ETHYLAMINE
2-(5-Methoxy-1H-Indol-3-Yl)Ethan-1-Amine
[ Show all ]
Inchi KeyJTEJPPKMYBDEMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
PubChem CID1833
ChEMBLCHEMBL8165
IUPHAR107
BindingDB82087
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.503 nMPMID25193229ChEMBL
EC500.503 nMPMID25193229BindingDB
Emax119.0 %PMID25193229ChEMBL
Ki1.25893 nMPMID8114677IUPHAR
Ki4.8 nMPMID8027974BindingDB,ChEMBL
Ki38.0 nMPMID10611640PDSP,BindingDB
Ki61.65 nMPMID9225287PDSP,BindingDB
Ki295.0 nMHoyer et al., PMID1987PDSP
Ki300.0 nMPMID8027974BindingDB,ChEMBL
Ki724.0 nMPMID10611640PDSP,BindingDB

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