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
SpeciesHomo sapiens (Human)
GeneHTR5A
Synonym5-HT5alpha
5-HT-5
MR22
Htr5
5-HT-5A
[ Show all ]
DiseaseN/A
Length357
Amino acid sequenceMDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH
UniProtP47898
Protein Data BankN/A
GPCR-HGmod modelP47898
3D structure modelThis predicted structure model is from GPCR-EXP P47898.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3426
IUPHAR10
DrugBankBE0004688

Ligand

NameCHEMBL101138
Molecular formulaC21H26N4O2S
IUPAC name2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
Molecular weight398.525
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50422022
SCHEMBL8806725
2-[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]-5-benzyl-1,2,5-thiadiazolidine 1,1-dioxide
Inchi KeyNFLDDZPDKNUJJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N4O2S/c1-23(2)11-10-18-15-22-21-9-8-19(14-20(18)21)25-13-12-24(28(25,26)27)16-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13,16H2,1-2H3
PubChem CID10340828
ChEMBLCHEMBL101138
IUPHARN/A
BindingDB50422022
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5079.0 nMPMID7932524BindingDB
IC5079.43 nMPMID7932524ChEMBL

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