Ligand
Ligand Name:   CT319
Ligand Type:   non-polymer
Ligand ID:   COVPDB43 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1[C@H](C)NC(=O)c2cc([N+]([O-])=O)cc(c2)C(F)(F)F
Standard InChI:   InChI=1S/C16H13F3N2O3/c1-10(11-5-3-2-4-6-11)20-15(22)12-7-13(16(17,18)19)9-14(8-12)21(23)24/h2-10H,1H3,(H,20,22)/t10-/m0/s1
Molecular Formula:   C16H13F3N2O3 Mol. Weight:   338.08783 logP:   4.1046
HBD:   1 HBA:   3
#Rotatable Bonds:   4 TPSA:   72.24

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) 4FDN 0T4
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