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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

Name1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Molecular formulaC11H16INO2
IUPAC name1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight321.158
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.5
SynonymsDTXSID7040520
MFCD05662244
Racemic DOI
( -)-DOI
2,5-dimethoxy 4-iodoamphetamine
[ Show all ]
Inchi KeyBGMZUEKZENQUJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PubChem CID1229
ChEMBLCHEMBL6616
IUPHAR147
BindingDB28582
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC506.3 nMPMID25583099BindingDB
EC506.31 nMPMID25583099ChEMBL
Emax87.0 %PMID25583099ChEMBL
Ki0.46 nMPMID9857084BindingDB,ChEMBL
Ki0.631 - 39.8 nMPMID8534270, PMID2233697, PMID9933142IUPHAR
Ki0.645654 nMPMID15322733PDSP
Ki0.65 nMPMID8632342, PMID15322733, PMID12954071PDSP,BindingDB
Ki0.7 nMPMID9933142PDSP,BindingDB
Ki0.89 nMPMID10498829BindingDB
Ki0.891251 nMPMID10498829PDSP
Ki0.92 nMPMID18847250BindingDB,ChEMBL
Ki0.93 nMPMID15322733BindingDB
Ki0.933254 nMPMID15322733PDSP
Ki1.58 nMPMID7984267PDSP,BindingDB
Ki3.1 nMPMID10611640PDSP,BindingDB
Ki6.0 nMSadzot et al., PMID1989PDSP
Ki13.0 nMPMID18468904BindingDB,ChEMBL
Ki14.0 nMPMID18468904BindingDB,ChEMBL
Ki20.47 nMPierce & Peroutka, PMID1989PDSP
Ki28.0 nMPMID18468904BindingDB,ChEMBL
Ki29.0 nMPMID18468904BindingDB,ChEMBL
Ki38.01 nMPMID7984267PDSP,BindingDB
Ki52.0 nMPMID10611640PDSP,BindingDB

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