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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

NameCHEMBL116448
Molecular formulaC18H27BrN2O2S
IUPAC name1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
Molecular weight415.39
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL4298542
BDBM85610
(2R)-1-(3-Bromophenylsulfonyl)-2-[2-(4-methylpiperidino)ethyl]pyrrolidine
(R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine
Inchi KeyJBIWUVRCMUOUNK-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
PubChem CID10573876
ChEMBLCHEMBL116448
IUPHARN/A
BindingDB85610
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki>5011.87 nMPMID10669560ChEMBL
Ki5011.87 nMPMID10669560BindingDB

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