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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

NameCHEMBL1256171
Molecular formulaC41H47N3O
IUPAC nameN-[4-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
Molecular weight597.847
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP8.6
SynonymsBDBM50328458
N-[4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]butyl][2.2]paracyclophanyl-4-carboxamide
Inchi KeyMAMYYNBMHYGSHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H47N3O/c45-41(39-29-35-13-11-31-3-7-33(8-4-31)15-19-37(39)20-17-35)42-23-1-2-24-43-25-27-44(28-26-43)40-30-36-14-12-32-5-9-34(10-6-32)16-21-38(40)22-18-36/h3-10,17-18,20,22,29-30H,1-2,11-16,19,21,23-28H2,(H,42,45)
PubChem CID49783041
ChEMBLCHEMBL1256171
IUPHARN/A
BindingDB50328458
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
Ki8200.0 nMPMID20839776BindingDB,ChEMBL

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