Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Thiol:disulfide interchange protein [27-205]' and Ligand = 'BDBM231642'
TargetThiol:disulfide interchange protein [27-205](Acinetobacter baumannii (AYE strain))
University of Queensland

LigandPNGBDBM231642(PSCGPGL)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C26H43N7O9S/c1-14(2)9-16(26(41)42)30-20(35)10-28-25(40)19-6-4-8-33(19)21(36)11-29-22(37)18(13-43)32-24(39)17(12-34)31-23(38)15-5-3-7-27-15/h14-19,27,34,43H,3-13H2,1-2H3,(H,28,40)(H,29,37)(H,30,35)(H,31,38)(H,32,39)(H,41,42)/t15-,16-,17-,18-,19-/m0/s1
Affinity DataKd:  7.90nMpH: 7.4 T: 2°CAssay Description:Synthetic peptides were purchased from Genicbio Ltd. Peptides were dissolved in 25 mM HEPES, pH 7.4, 100 mM NaCl (ITC buffer) to obtain 4 mM stock so...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid