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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

NameCHEMBL213817
Molecular formulaC27H27FN4O
IUPAC nameN-[[3-(diethylaminomethyl)quinolin-8-yl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight442.538
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsN-(3-diethylaminomethyl-quinolin-8-ylmethyl)-6-(4-fluoro-phenyl)-nicotinamide
BDBM50191754
Inchi KeyAJBOEHICNNVRON-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27FN4O/c1-3-32(4-2)18-19-14-21-6-5-7-22(26(21)30-15-19)16-31-27(33)23-10-13-25(29-17-23)20-8-11-24(28)12-9-20/h5-15,17H,3-4,16,18H2,1-2H3,(H,31,33)
PubChem CID44416627
ChEMBLCHEMBL213817
IUPHARN/A
BindingDB50191754
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5014123.0 nMPMID16870427BindingDB,ChEMBL

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