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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

Nameritanserin
Molecular formulaC27H25F2N3OS
IUPAC name6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Molecular weight477.574
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.2
Synonyms87051-43-2
Tiserton
Ritanserine
Ritanserina
Ritanserinum
[ Show all ]
Inchi KeyJUQLTPCYUFPYKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
PubChem CID5074
ChEMBLCHEMBL267777
IUPHAR97
BindingDB50001775
DrugBankDB12693

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504.5 nMPMID16469866BindingDB
Ki0.25 nMPMID9225287, PMID7582481PDSP,BindingDB
Ki0.251189 - 6.30957 nMPMID15322733IUPHAR
Ki0.44 nMPMID16469866BindingDB
Ki1.62 nMPMID11882920BindingDB
Ki1.62181 nMPMID11882920PDSP
Ki1.8 nMMedChemComm, (2015) 6:4:601, PMID27261181, http://pubs.rsc.org/en/content/articlepdf/2015/md/c4md00418cPDSP,BindingDB,ChEMBL
Ki6.60693 nMPMID15322733PDSP
Ki6.61 nMPMID15322733BindingDB

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