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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

NameCHEMBL215131
Molecular formulaC27H25FN4O2
IUPAC name6-(4-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)quinolin-8-yl]methyl]pyridine-3-carboxamide
Molecular weight456.521
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
Synonyms6-(4-fluoro-phenyl)-N-(3-morpholin-4-ylmethyl-quinolin-8-ylmethyl)-nicotinamide
BDBM50191757
Inchi KeyANSMNWSPUJNZNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25FN4O2/c28-24-7-4-20(5-8-24)25-9-6-23(17-29-25)27(33)31-16-22-3-1-2-21-14-19(15-30-26(21)22)18-32-10-12-34-13-11-32/h1-9,14-15,17H,10-13,16,18H2,(H,31,33)
PubChem CID44416650
ChEMBLCHEMBL215131
IUPHARN/A
BindingDB50191757
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID16870427BindingDB,ChEMBL

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