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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

Namerisperidone
Molecular formulaC23H27FN4O2
IUPAC name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular weight410.493
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.7
SynonymsRisperidone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material
Risperidone, Pharmaceutical Secondary Standard; Certified Reference Material
Rispolin
SPBio_003078
Tox21_110253
[ Show all ]
Inchi KeyRAPZEAPATHNIPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
PubChem CID5073
ChEMBLCHEMBL85
IUPHAR96
BindingDB50001885
DrugBankDB00734

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
IC507.0 nMPMID27173799ChEMBL
IC507.0 nMPMID27173799BindingDB
IC5015.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki6.4 nMPMID11170639BindingDB,ChEMBL
Ki7.4 nMPMID14741248BindingDB
Ki7.41 nMPMID19796944BindingDB
Ki7.413 nMPMID19796944, PMID17588750, PMID14741248ChEMBL
Ki7.639 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki10.0 nMPMID18595716PDSP,BindingDB,ChEMBL
Ki12.0 nMPMID15771415, PMID8997630PDSP,BindingDB,ChEMBL
Ki12.59 nMPMID17880057ChEMBL
Ki24.0 nMPMID10991983BindingDB
Ki25.1189 - 31.6228 nMPMID12629531, PMID10991983IUPHAR
Ki26.0 nMPMID8822531PDSP,BindingDB
Ki32.0 nMPMID11132243, PMID25343529PDSP,BindingDB,ChEMBL
Ki33.0 nMPMID20719507BindingDB,ChEMBL
Ki35.0 nMPMID12629531PDSP,BindingDB
Ki41.69 nMPMID11101359, PMID11754579ChEMBL
Ki44.0 nMPMID10227113, PMID14642972PDSP,BindingDB
Ki63.0 nM, PMID14998318, NoneBindingDB,ChEMBL
Ki64.0 nMPMID8632342PDSP,BindingDB
Ki91.2 nMPMID10425088ChEMBL
Ki100.0 nMMedChemComm, (2012) 3:5:580ChEMBL

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