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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

NameCHEMBL1771105
Molecular formulaC26H35N3O3
IUPAC name7-methoxy-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5-dihydro-3H-2-benzazepin-1-one
Molecular weight437.584
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50342711
7-methoxy-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
Inchi KeyOLFPBASVCZUWSQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N3O3/c1-31-22-11-12-23-21(20-22)8-7-15-29(26(23)30)14-6-5-13-27-16-18-28(19-17-27)24-9-3-4-10-25(24)32-2/h3-4,9-12,20H,5-8,13-19H2,1-2H3
PubChem CID54581963
ChEMBLCHEMBL1771105
IUPHARN/A
BindingDB50342711
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki810.0 nMPMID21273071BindingDB,ChEMBL

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