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GPCR

Name5-hydroxytryptamine receptor 2A
SpeciesHomo sapiens (Human)
GeneHTR2A
Synonym5-HT-2
serotonin receptor 2A
serotonin 5HT-2 receptor
5-HT-2A
5-HT2A receptor
[ Show all ]
DiseaseDepression
Unspecified
Diabetes
Erythropoietic porphyria
Fibromyalgia
[ Show all ]
Length471
Amino acid sequenceMDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProtP28223
Protein Data Bank6a93, 6a94
GPCR-HGmod modelP28223
3D structure modelThis structure is from PDB ID 6a93.
BioLiPBL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target DatabaseT32060
ChEMBLCHEMBL224
IUPHAR6
DrugBankBE0000451

Ligand

NameCHEMBL1271815
Molecular formulaC24H35N5O
IUPAC nameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-6-propan-2-ylpyrimidine-4-carboxamide
Molecular weight409.578
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsN-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-6-isopropyl-2-methylpyrimidine-4-carboxamide Hydrochloride
CHEMBL1617880
BDBM50329951
Inchi KeyADGQMFGFECWRRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H35N5O/c1-17(2)21-16-22(27-20(5)26-21)24(30)25-10-7-11-28-12-14-29(15-13-28)23-9-6-8-18(3)19(23)4/h6,8-9,16-17H,7,10-15H2,1-5H3,(H,25,30)
PubChem CID52945494
ChEMBLN/A
IUPHARN/A
BindingDB50329951
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50490.0 nMPMID20933409BindingDB

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