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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

Nameclozapine
Molecular formulaC18H19ClN4
IUPAC name3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular weight326.828
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.1
SynonymsL013417
TC-063560
LX 100-129
W-2845
NCGC00015254-01
[ Show all ]
Inchi KeyQZUDBNBUXVUHMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
PubChem CID135398737
ChEMBLCHEMBL42
IUPHAR38
BindingDB50001884
DrugBankDB00363

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
EC50250.0 nMNoneChEMBL
IC506.039 nMDrugMatrix in vitro pharmacology dataChEMBL
IC5010.0 nMPMID9622542BindingDB,ChEMBL
Ki1.99526 - 39.8107 nMPMID9732398, PMID15322733, PMID12629531, PMID15102927, PMID10991983, PMID10217294IUPHAR
Ki2.884 nMPMID15261283, Med Chem Res, (2013) 22:2:520ChEMBL
Ki3.163 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki4.8 nMPMID25343529BindingDB,ChEMBL
Ki5.0 nMPMID11170639BindingDB,ChEMBL
Ki5.012 nMPMID11101359ChEMBL
Ki7.943 nMPMID17880057ChEMBL
Ki9.3 nMPMID23301527BindingDB,ChEMBL
Ki9.333 nMPMID23301527ChEMBL
Ki10.0 nMPMID14741248BindingDB
Ki10.47 nMPMID17588750, PMID19796944, PMID14741248, PMID18783204BindingDB,ChEMBL
Ki13.0 nM, PMID24559051, None, PMID14998318BindingDB,ChEMBL
Ki15.0 nMPMID20719507BindingDB,ChEMBL
Ki15.85 nMPMID10425088, PMID11754579ChEMBL
Ki17.0 nMPMID18595716BindingDB,ChEMBL
Ki21.0 nMPMID15771415BindingDB,ChEMBL
Ki23.0 nMPMID23792350ChEMBL
Ki24.0 nMPMID23353740BindingDB,ChEMBL
Ki72.44 nMPMID23301527ChEMBL
Ki73.0 nMPMID23301527BindingDB,ChEMBL
Ki100.0 nMMedChemComm, (2012) 3:5:580ChEMBL

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