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 ●DMFold ●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

NameCHEMBL6898
Molecular formulaC13H19NO3
IUPAC name(1R)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6,7-triol
Molecular weight237.299
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.2
SynonymsBDBM50000501
2-Isopropylamino-1,2,3,4-tetrahydro-naphthalene-1,6,7-triol
Inchi KeyOCSSSNKRNYLNAI-JLOHTSLTSA-N
Inchi IDInChI=1S/C13H19NO3/c1-7(2)14-10-4-3-8-5-11(15)12(16)6-9(8)13(10)17/h5-7,10,13-17H,3-4H2,1-2H3/t10?,13-/m1/s1
PubChem CID44263964
ChEMBLCHEMBL6898
IUPHARN/A
BindingDB50000501
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
238004Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
238003Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
238005Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218