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

NameCHEMBL252736
Molecular formulaC16H19N3O
IUPAC name2-(cyclohexylamino)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
Molecular weight269.348
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
Synonyms2-cyclohexylamino-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
BDBM50231730
SCHEMBL4423371
2-Cyclohexylamino-5-oxo-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
AOLJUYISNQULBB-UHFFFAOYSA-N
Inchi KeyAOLJUYISNQULBB-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19N3O/c17-10-11-9-13-14(7-4-8-15(13)20)19-16(11)18-12-5-2-1-3-6-12/h9,12H,1-8H2,(H,18,19)
PubChem CID24777580
ChEMBLCHEMBL252736
IUPHARN/A
BindingDB50231730
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10331Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199

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