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

NameMK-6892
Molecular formulaC19H22N4O5
IUPAC name2-[[3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid
Molecular weight386.408
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.3
Synonyms2-{3-[3-(5-HYDROXYPYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL]-2,2-DIMETHYLPROPANAMIDO}CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
AS-32919
HY-10680
PH9ZB6IRW0
1-Cyclohexene-1-carboxylic acid, 2-((3-(3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1-oxopropyl)amino)-
[ Show all ]
Inchi KeyCJHXBFSJXDUJHP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)
PubChem CID135416394
ChEMBLCHEMBL1086657
IUPHAR5788
BindingDB50313976
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
558611Hydroxycarboxylic acid receptor 2Q9EP66Hcar2Mus musculus (Mouse)360
558612Hydroxycarboxylic acid receptor 2Q80Z39Hcar2Rattus norvegicus (Rat)360
558613Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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