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GPCR

Name5-hydroxytryptamine receptor 2A
SpeciesMacaca mulatta (Rhesus macaque)
GeneHTR2A
Synonym5-HT-2
5-HT-2A
Serotonin receptor 2A
DiseaseN/A for non-human GPCRs
Length471
Amino acid sequenceMDILCEENTSLSSTTNSLMQLNEDTRLYSNDFNSGEANTSDAFNWTVESENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHRDPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEDASKDNSDGVNEKVSCV
UniProtP50128
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3309041
IUPHARN/A
DrugBankN/A

Ligand

NameLY-197541
Molecular formulaC24H34N2O3
IUPAC name3-hydroxybutan-2-yl (6aR,9R,10aR)-7-methyl-4-(2-methylpropyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
Molecular weight398.547
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM84938
(6aR)-7-Methyl-4-isobutyl-4,6,6aI+/-,7,8,9,10,10aI(2)-octahydroindolo[4,3-fg]quinoline-9I+/--carboxylic acid 2-hydroxy-1-methylpropyl ester 6-Methyl-1-(2-methylpropyl)ergoline-8I(2)-carboxylic acid 2-hydroxy-1-methylpropyl ester
LY 197541
Inchi KeyNRMCOBVLHDZQFD-XCXPZOIVSA-N
Inchi IDInChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1
PubChem CID57339931
ChEMBLN/A
IUPHARN/A
BindingDB84938
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki153.0 nMPMID8510008BindingDB

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