Ligand
Ligand Name:   2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB822 PubChem:   137349381
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@H]1CCC[C@@H](C)N1c1nc(=O)c2cc(cc([N+]([O-])=O)c2o1)C(F)(F)F
Standard InChI:   InChI=1S/C16H16F3N3O4/c1-8-4-3-5-9(2)21(8)15-20-14(23)11-6-10(16(17,18)19)7-12(22(24)25)13(11)26-15/h6-9H,3-5H2,1-2H3/t8-,9+
Molecular Formula:   C16H16F3N3O4 Mol. Weight:   371.10928 logP:   3.8823
HBD:   0 HBA:   6
#Rotatable Bonds:   2 TPSA:   89.48

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Decaprenylphosphoryl-beta-D-ribose oxidase P9WJF1 (DPRE1_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 6HF0 G1H
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