Ligand |
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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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SHOW |