Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Leucine--tRNA ligase [A132I,E138V,K510E,I952T]' and Ligand = 'BDBM163674'
TargetLeucine--tRNA ligase [A132I,E138V,K510E,I952T](Candida albicans (Ascomycetes))
Grenoble Outstation and Unit of Virus Host-Cell Interactions, UJF-EMBL-CNRS, UMI 3265

LigandPNGBDBM163674(AN2690-AMP)
Show SMILES CC[C@H]1O[C@H]([C@H]2O[B-]3(OCc4cc(F)ccc34)OC12)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H18BFN5O4/c1-2-12-14-15(18(27-12)25-8-24-13-16(21)22-7-23-17(13)25)29-19(28-14)11-4-3-10(20)5-9(11)6-26-19/h3-5,7-8,12,14-15,18H,2,6H2,1H3,(H2,21,22,23)/q-1/t12-,14?,15+,18-,19?/m1/s1
Affinity DataKd:  2.10E+4nMpH: 8.0 T: 2°CAssay Description:ITC was performed using LeuRS CP1 domain wild-type, K510E mutant, or K510A mutant against AN2690-AMP at 25 C by an ITC200 system (MicroCal, GE Healt...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid