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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

NameCHEMBL58283
Molecular formulaC25H33F2N5O
IUPAC nameN-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzamide
Molecular weight457.57
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50282974
N-{1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4-fluoro-benzamide
Inchi KeyALIDGGPSZBTFKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33F2N5O/c26-21-10-8-20(9-11-21)24(33)30-23(19-5-2-1-3-6-19)7-4-12-31-13-15-32(16-14-31)25-28-17-22(27)18-29-25/h8-11,17-19,23H,1-7,12-16H2,(H,30,33)
PubChem CID15729925
ChEMBLCHEMBL58283
IUPHARN/A
BindingDB50282974
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50760.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:16:1941BindingDB,ChEMBL

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