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GPCR

Name5-hydroxytryptamine receptor 2A
SpeciesSus scrofa (Pig)
GeneHTR2A
Synonym5-HT-2
5-HT-2A
5-HT2A
Serotonin receptor 2A
DiseaseN/A for non-human GPCRs
Length470
Amino acid sequenceMDVLCEENTSLSSPTNSFMQLNDDTRLYHNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHRRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQTGQKENSKQDDKATENDCTMVALGKQHSEDAPADNSNTVNEKVSCV
UniProtP50129
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2490
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1258154
Molecular formulaC30H33ClN2O
IUPAC name4-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)butan-1-one
Molecular weight473.057
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.7
SynonymsBDBM50328451
4-[4-(4-Chlorophenyl)piperazin-1-yl]-1-([2.2]paracyclophan-4-yl)butan-1-one
Inchi KeyLOOROOGJSWXTHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H33ClN2O/c31-27-13-15-28(16-14-27)33-20-18-32(19-21-33)17-1-2-30(34)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2
PubChem CID49782837
ChEMBLCHEMBL1258154
IUPHARN/A
BindingDB50328451
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1700.0 nMPMID20839776BindingDB,ChEMBL

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