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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

NameCHEMBL1256169
Molecular formulaC41H45NO2
IUPAC name4-[4-hydroxy-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)butan-1-one
Molecular weight583.816
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP8.1
SynonymsBDBM50328446
4-[4-([2.2]Paracyclophan-4-yl)-4-hydroxypiperidin-1-yl]-1-([2.2]-paracyclophan-4-yl)butan-1-one
Inchi KeyIJSPBXBGZJAXBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H45NO2/c43-40(38-28-34-13-11-30-3-7-32(8-4-30)15-19-36(38)20-17-34)2-1-25-42-26-23-41(44,24-27-42)39-29-35-14-12-31-5-9-33(10-6-31)16-21-37(39)22-18-35/h3-10,17-18,20,22,28-29,44H,1-2,11-16,19,21,23-27H2
PubChem CID49782602
ChEMBLCHEMBL1256169
IUPHARN/A
BindingDB50328446
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1200.0 nMPMID20839776BindingDB,ChEMBL

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