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

NameCHEMBL42144
Molecular formulaC16H22N2O3
IUPAC name4-[[3-(dicyclopropylmethylideneamino)oxy-2-hydroxypropyl]amino]phenol
Molecular weight290.363
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.2
SynonymsBDBM50064229
Dicyclopropyl ketone O-[2-hydroxy-3-[(4-hydroxyphenyl)amino]propyl]oxime
Dicyclopropyl-methanone O-[2-hydroxy-3-(4-hydroxy-phenylamino)-propyl]-oxime
Inchi KeyHRVKVTBHWKBKBC-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22N2O3/c19-14-7-5-13(6-8-14)17-9-15(20)10-21-18-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,17,19-20H,1-4,9-10H2
PubChem CID10544155
ChEMBLCHEMBL42144
IUPHARN/A
BindingDB50064229
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
122458Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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