Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Thiol:disulfide interchange protein [27-205]' and Ligand = 'BDBM231641'
TargetThiol:disulfide interchange protein [27-205](Acinetobacter baumannii (AYE strain))
University of Queensland

LigandPNGBDBM231641(QIDSAPEE)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C36H57N9O17/c1-4-16(2)28(44-29(54)18(37)7-10-24(38)47)34(59)42-21(14-27(52)53)31(56)43-22(15-46)32(57)39-17(3)35(60)45-13-5-6-23(45)33(58)40-19(8-11-25(48)49)30(55)41-20(36(61)62)9-12-26(50)51/h16-23,28,46H,4-15,37H2,1-3H3,(H2,38,47)(H,39,57)(H,40,58)(H,41,55)(H,42,59)(H,43,56)(H,44,54)(H,48,49)(H,50,51)(H,52,53)(H,61,62)/t16-,17-,18-,19-,20-,21-,22-,23-,28-/m0/s1
Affinity DataKd:  1.68E+3nMpH: 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 InfoPC cidPC sid