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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

NameCHEMBL1271815
Molecular formulaC24H35N5O
IUPAC nameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-6-propan-2-ylpyrimidine-4-carboxamide
Molecular weight409.578
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL1617880
BDBM50329951
N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-6-isopropyl-2-methylpyrimidine-4-carboxamide Hydrochloride
Inchi KeyADGQMFGFECWRRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H35N5O/c1-17(2)21-16-22(27-20(5)26-21)24(30)25-10-7-11-28-12-14-29(15-13-28)23-9-6-8-18(3)19(23)4/h6,8-9,16-17H,7,10-15H2,1-5H3,(H,25,30)
PubChem CID52945494
ChEMBLN/A
IUPHARN/A
BindingDB50329951
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501548.0 nMPMID20933409BindingDB

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