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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

NameBW-723C86
Molecular formulaC16H18N2OS
IUPAC name1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
Molecular weight286.393
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsBRD-A17428743-003-03-3
D00ZCU
NCGC00024972-02
alpha-methyl-5-(2-thienylmethoxy)-1H-indole-3-ethanamine
CAS_5311036
[ Show all ]
Inchi KeyALFGDCNSEBJYSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
PubChem CID4284720
ChEMBLCHEMBL1255834
IUPHAR161
BindingDB82472
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50204.3 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki77.62 nMPMID15322733BindingDB
Ki79.4328 - 125.893 nMPMID15322733, PMID12970106IUPHAR
Ki93.33 nMPMID10498829BindingDB
Ki107.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki114.82 nMPMID11882920BindingDB
Ki316.23 nMPMID7881740BindingDB
Ki501.19 nMPMID8730737, PMID8788493, PMID9144661BindingDB

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