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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

NameCHEMBL197245
Molecular formulaC21H21Cl2N3O3
IUPAC name2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide
Molecular weight434.317
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
Synonyms2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-acetamide
BDBM50172415
Inchi KeyFKLOHGYBYOWNQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
PubChem CID11495754
ChEMBLCHEMBL197245
IUPHARN/A
BindingDB50172415
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505900.0 nMPMID16134937BindingDB,ChEMBL

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