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:

Ligand

NameUNII-7W7511NPF8
Molecular formulaC20H20N2O3S
IUPAC name1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
Molecular weight368.451
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.8
Synonyms1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidine-4-carboxylic acid
CHEMBL481280
AKOS032948037
Piperidine-4-carboxylic acid, 1-(4-(benzothiazol-2-yloxy)benzyl)-
1-[4-(Benzothiazol-2-yloxy)benzyl]piperidine-4-carboxylic Acid
[ Show all ]
Inchi KeyBUZBVOKDNAZIIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20N2O3S/c23-19(24)15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)25-20-21-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H,23,24)
PubChem CID11245596
ChEMBLCHEMBL481280
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 34
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
334805-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
334885-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
334895-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
334755-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
335015-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
334975-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
33476Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
33482Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
442958Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
33499B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
33498Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
33486C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
33479C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
33483D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
33485D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
33496Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
33491Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
33490Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
33504Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
33500Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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