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 5A
SpeciesMus musculus (Mouse)
GeneHtr5a
SynonymMR22
Htr5
5HT5-
5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled
5-HT5alpha
[ Show all ]
DiseaseN/A for non-human GPCRs
Length357
Amino acid sequenceMDLPVNLTSFSLSTPSSLEPNRSLDTEVLRPSRPFLSAFRVLVLTLLGFLAAATFTWNLLVLATILKVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRTRKRVSNVMILLTWALSTVISLAPLLFGWGETYSEPSEECQVSREPSYTVFSTVGAFYLPLCVVLFVYWKIYRAAKFRMGSRKTNSVSPVPEAVEVKNATQHPQMVFTVRHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDVPAIWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ
UniProtP30966
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3597
IUPHAR10
DrugBankN/A

Ligand

NameCHEMBL341506
Molecular formulaC22H25FN2
IUPAC name2-[4-(4-fluorophenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
Molecular weight336.454
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.7
Synonyms2-[4-(4-Fluoro-phenyl)-butyl]-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
BDBM50132091
Inchi KeyXAAOJZOWHOQYAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FN2/c1-24-21-8-3-2-7-19(21)20-16-25(15-13-22(20)24)14-5-4-6-17-9-11-18(23)12-10-17/h2-3,7-12H,4-6,13-16H2,1H3
PubChem CID44351499
ChEMBLCHEMBL341506
IUPHARN/A
BindingDB50132091
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki95.0 nMPMID12930153BindingDB,ChEMBL

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