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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

NameSCHEMBL604437
Molecular formulaC18H25N5O
IUPAC name(7aS,11aS)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro-[1]benzofuro[2,3-h]quinazolin-2-amine
Molecular weight327.432
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.3
Synonyms(-)-(7aS*,11aS*)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3h]quinazolin-2-amine
MolPort-023-276-880
AKOS024457726
UNII-6BVK16R925 component DJKJVWJQAVGLHJ-YPMHNXCESA-N
(+/-)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine
[ Show all ]
Inchi KeyDJKJVWJQAVGLHJ-YPMHNXCESA-N
Inchi IDInChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
PubChem CID25109291
ChEMBLCHEMBL519240
IUPHARN/A
BindingDB26226
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity55.4 %PMID18983139ChEMBL
IC5011700.0 nMPMID18983139ChEMBL
Inhibition45.0 %PMID18983139ChEMBL

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