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

NameCHEMBL355135
Molecular formulaC18H16BrN3O
IUPAC name1-(2-bromo-4-propan-2-ylphenyl)-4-methyl-6-oxo-7H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Molecular weight370.25
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.5
Synonyms1-(2-Bromo-4-isopropylphenyl)-4-methyl-6-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
1-(2-Bromo-4-isopropyl-phenyl)-6-hydroxy-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
BDBM50074416
Inchi KeyDZHYYJXOBIBELN-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16BrN3O/c1-10(2)12-4-5-15(14(19)7-12)22-9-13(8-20)17-11(3)6-16(23)21-18(17)22/h4-7,9-10H,1-3H3,(H,21,23)
PubChem CID10809156
ChEMBLCHEMBL355135
IUPHARN/A
BindingDB50074416
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
72672Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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