Ligand
Ligand Name:   N-(4-ethoxyquinazolin-2-yl)prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB380 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1cccc(c12)nc(NC(=O)C=C)nc2OCC
Standard InChI:   InChI=1S/C13H13N3O2/c1-3-11(17)15-13-14-10-8-6-5-7-9(10)12(16-13)18-4-2/h3,5-8H,1,4H2,2H3,(H,14,15,16,17)
Molecular Formula:   C13H13N3O2 Mol. Weight:   243.10077 logP:   2.153
HBD:   1 HBA:   4
#Rotatable Bonds:   4 TPSA:   64.11

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
O-GlcNAcase BT_4395 Q89ZI2 (OGA_BACTN) Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482) 5MI6 7NQ
-
-
SHOW
O-GlcNAcase BT_4395 Q89ZI2 (OGA_BACTN) Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482) 5MI5 7NQ
-
-
SHOW
O-GlcNAcase BT_4395 Q89ZI2 (OGA_BACTN) Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482) 5MI4 7NQ
-
-
SHOW