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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

NameCHEMBL299726
Molecular formulaC20H17ClN4O2
IUPAC name6-chloro-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide
Molecular weight380.832
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50321891
N-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-6-chloroindoline-1-carboxamide
6-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(2-methyl-pyridin-3-yloxy)-pyridin-3-yl]-amide
6-chloro-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)indoline-1-carboxamide
Inchi KeyAGVPOFROVYICOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-6-16(12-23-19)24-20(26)25-10-8-14-4-5-15(21)11-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
PubChem CID44298142
ChEMBLCHEMBL299726
IUPHARN/A
BindingDB50321891
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.981 nMPMID10969986ChEMBL
Ki4.0 nMPMID20570529, PMID10969986BindingDB,ChEMBL

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