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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

Name137403-12-4
Molecular formulaC20H21N5O3S
IUPAC nameN-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
Molecular weight411.48
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.2
SynonymsL-694,247
N-(4-((5-(3-(2-Aminoethyl)-1H-indol-5-yl)-1,2,4-oxadiazol-3-yl)methyl)phenyl)methanesulfonamide
L-694247
L 694247
2-[5-[3-(4-Methylsulfonylamino)benzyl-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
[ Show all ]
Inchi KeyHKXMQLISPYELRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3
PubChem CID132059
ChEMBLCHEMBL39317
IUPHAR15
BindingDB50406771
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50316.23 nMPMID8496922BindingDB,ChEMBL

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