Ligand
Ligand Name:   N-[4-(morpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB382 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C1COCCN1c(c(c23)ccs2)nc(n3)NC(=O)C=C
Standard InChI:   InChI=1S/C13H14N4O2S/c1-2-10(18)14-13-15-11(17-4-6-19-7-5-17)9-3-8-20-12(9)16-13/h2-3,8H,1,4-7H2,(H,14,15,16,18)
Molecular Formula:   C13H14N4O2S Mol. Weight:   290.08374 logP:   1.6524
HBD:   1 HBA:   6
#Rotatable Bonds:   3 TPSA:   67.35

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) 5MI7 7NT
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