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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

NameCHEMBL181324
Molecular formulaC12H17NO
IUPAC name8-methoxy-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Molecular weight191.274
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.1
SynonymsAKOS023844441
BDBM50161644
SCHEMBL13679037
7-Methoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Inchi KeyAMIACDDVTGCQRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H17NO/c1-9-8-13-6-5-10-7-11(14-2)3-4-12(9)10/h3-4,7,9,13H,5-6,8H2,1-2H3
PubChem CID24773648
ChEMBLCHEMBL181324
IUPHARN/A
BindingDB50161644
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501258.93 nMPMID18095642ChEMBL
EC502000.0 nMPMID15713408BindingDB,ChEMBL

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