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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

NameCHEMBL601457
Molecular formulaC27H33N3O2S
IUPAC nameN-(cyclopropylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
Molecular weight463.64
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.1
SynonymsN-(Cyclopropylmethyl)-N-(3-(4-phenylpiperazin-1-yl)-propyl)naphthalene-1-sulfonamide
BDBM50306843
Inchi KeyAHYJMKNQHZIKJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33N3O2S/c31-33(32,27-13-6-9-24-8-4-5-12-26(24)27)30(22-23-14-15-23)17-7-16-28-18-20-29(21-19-28)25-10-2-1-3-11-25/h1-6,8-13,23H,7,14-22H2
PubChem CID46232730
ChEMBLCHEMBL601457
IUPHARN/A
BindingDB50306843
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50171.0 nMPMID20096593BindingDB,ChEMBL

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