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GPCR

Name5-hydroxytryptamine receptor 2C
SpeciesHomo sapiens (Human)
GeneHTR2C
SynonymSerotonin receptor 2C
serotonin 1c receptor
5-HT1C
5-HT2C
5-HT-2C
[ Show all ]
DiseasePain
Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia
Unspecified
Depression
Drug abuse
[ Show all ]
Length458
Amino acid sequenceMVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProtP28335
Protein Data Bank6bqg, 6bqh
GPCR-HGmod modelP28335
3D structure modelThis structure is from PDB ID 6bqg.
BioLiPBL0404805, BL0404806
Therapeutic Target DatabaseT83813
ChEMBLCHEMBL225
IUPHAR8
DrugBankBE0004957, BE0004881, BE0000533

Ligand

NameCHEMBL50834
Molecular formulaC16H22N6
IUPAC name2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
Molecular weight298.394
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50407351
N,N-Dimethyl-5-[(1-ethyl-1H-tetrazol-5-yl)methyl]-1H-indole-3-(ethanamine)
SCHEMBL8784123
Inchi KeyCJBANWVQVZIEGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22N6/c1-4-22-16(18-19-20-22)10-12-5-6-15-14(9-12)13(11-17-15)7-8-21(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3
PubChem CID10108730
ChEMBLCHEMBL50834
IUPHARN/A
BindingDB50407351
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID7752204BindingDB,ChEMBL

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