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GPCR

Name5-hydroxytryptamine receptor 2A
SpeciesRattus norvegicus (Rat)
GeneHtr2a
Synonym5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled
'D' receptor
5-HT-2A
serotonin receptor 2A
5Ht-2
[ 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

NameCHEMBL3740636
Molecular formulaC26H30FN3O3
IUPAC name[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
Molecular weight451.542
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.3
SynonymsJ3.517.041C
(4'-(6-Fluoro-1,2-benzoisoxazole-3-yl)-[4,1'-methylenebis(piperidine)]-1-yl)(p-methoxyphenyl) ketone
Inchi KeyAOIWVIODQBYDES-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30FN3O3/c1-32-22-5-2-20(3-6-22)26(31)30-14-8-18(9-15-30)17-29-12-10-19(11-13-29)25-23-7-4-21(27)16-24(23)33-28-25/h2-7,16,18-19H,8-15,17H2,1H3
PubChem CID127042412
ChEMBLCHEMBL3740636
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki120.8 nMMedChemComm, (2015) 6:5:831ChEMBL

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