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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

Namesumatriptan
Molecular formulaC14H21N3O2S
IUPAC name1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Molecular weight295.401
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.9
SynonymsMLS001195659
1-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide
O262
3-(2-(Dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide
Sumatran
[ Show all ]
Inchi KeyKQKPFRSPSRPDEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
PubChem CID5358
ChEMBLCHEMBL128
IUPHAR54
BindingDB50005835
DrugBankDB00669

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 -Bioorg. Med. Chem. Lett., (1996) 6:15:1825ChEMBL
IC50<10000.0 nMPMID7752204, BindingDB,ChEMBL
IC50>10000.0 nMPMID7932524ChEMBL
Ki<10000.0 nMPMID9225287BindingDB

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