Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER D-I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK D-QUARK DRfold DRfold2 LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO ATGO 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 TCRfinder

TM-score TM-align US-align MM-align RNA-align NW-align LS-align TM-search EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA DeepMSA2 rMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP HPmod 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

NameCHEMBL2069485
Molecular formulaC19H24N4O2
IUPAC name(2S)-2-amino-3-cyclohexyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
Molecular weight340.427
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.9
SynonymsBDBM50390580
Inchi KeyUKLIGDIQCOLTMJ-INIZCTEOSA-N
Inchi IDInChI=1S/C19H24N4O2/c20-16(10-13-4-2-1-3-5-13)18(24)23-17-11-15(12-22-19(17)25)14-6-8-21-9-7-14/h6-9,11-13,16H,1-5,10,20H2,(H,22,25)(H,23,24)/t16-/m0/s1
PubChem CID70682464
ChEMBLCHEMBL2069485
IUPHARN/A
BindingDB50390580
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
338896Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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