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 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

NameSCHEMBL1833847
Molecular formulaC24H26N6
IUPAC name2-[1-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridine
Molecular weight398.514
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsBICVVNYZNHJZPZ-UHFFFAOYSA-N
2-[1-(6-benzyl-4,5-dimethyl-pyridazin-3-yl)-piperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CHEMBL3958236
Inchi KeyBICVVNYZNHJZPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N6/c1-16-17(2)24(29-28-21(16)15-18-7-4-3-5-8-18)30-13-10-19(11-14-30)22-26-20-9-6-12-25-23(20)27-22/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,25,26,27)
PubChem CID67177962
ChEMBLCHEMBL3958236
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536608Smoothened homologP56726SmoMus musculus (Mouse)793
536609Smoothened homologQ99835SMOHomo sapiens (Human)787

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