Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

GPCR

Name5-hydroxytryptamine receptor 2C
SpeciesRattus norvegicus (Rat)
GeneHtr2c
Synonym5-HT-1C
serotonin 1c receptor
HTR1C
5-hydroxytryptamine receptor 1C
5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled
[ Show all ]
DiseaseN/A for non-human GPCRs
Length460
Amino acid sequenceMVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV
UniProtP08909
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL324
IUPHAR8
DrugBankBE0004882

Ligand

NameCHEMBL125361
Molecular formulaC24H30N2
IUPAC name5-methyl-2-(6-phenylhexyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
Molecular weight346.518
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM50132093
5-Methyl-2-(6-phenyl-hexyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Inchi KeyOEFBIQFHDCQKBI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N2/c1-25-23-15-9-8-14-21(23)22-19-26(18-16-24(22)25)17-10-3-2-5-11-20-12-6-4-7-13-20/h4,6-9,12-15H,2-3,5,10-11,16-19H2,1H3
PubChem CID44351101
ChEMBLCHEMBL125361
IUPHARN/A
BindingDB50132093
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki530.0 nMPMID12930153BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417