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

NameMLS000730667
Molecular formulaC19H26ClN3O2
IUPAC name2-(1-adamantyl)-4-chloro-5-(oxolan-2-ylmethylamino)pyridazin-3-one
Molecular weight363.886
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
SynonymsMCULE-1638368013
2-(1-adamantyl)-4-chloranyl-5-(oxolan-2-ylmethylamino)pyridazin-3-one
BDBM97105
SMR000308943
2-(1-adamantyl)-4-chloro-5-(tetrahydrofurfurylamino)pyridazin-3-one
[ Show all ]
Inchi KeyAHXHATFSBJZLMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H26ClN3O2/c20-17-16(21-10-15-2-1-3-25-15)11-22-23(18(17)24)19-7-12-4-13(8-19)6-14(5-12)9-19/h11-15,21H,1-10H2
PubChem CID16193721
ChEMBLCHEMBL1523593
IUPHARN/A
BindingDB97105
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
5954Galanin receptor type 3O60755GALR3Homo sapiens (Human)368

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