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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

NameCHEMBL1082211
Molecular formulaC27H25N3O2
IUPAC name[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-phenylphenyl)methanone
Molecular weight423.516
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50312776
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(biphenyl-4-yl)methanone
Inchi KeyGGUUYQBMWBFCFQ-IBGZPJMESA-N
Inchi IDInChI=1S/C27H25N3O2/c1-19-18-29(26(31)23-10-7-21(8-11-23)20-5-3-2-4-6-20)15-16-30(19)27(32)24-12-9-22-13-14-28-25(22)17-24/h2-14,17,19,28H,15-16,18H2,1H3/t19-/m0/s1
PubChem CID46880568
ChEMBLCHEMBL1082211
IUPHARN/A
BindingDB50312776
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID20137933BindingDB,ChEMBL

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