Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Thiol:disulfide interchange protein [27-205]' and Ligand = 'BDBM231640'
TargetThiol:disulfide interchange protein [27-205](Acinetobacter baumannii (AYE strain))
University of Queensland

LigandPNGBDBM231640(DYSQIDSAPEE)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=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/C52H76N12O24/c1-4-23(2)41(63-44(79)28(11-14-36(54)68)56-48(83)34(22-66)62-45(80)31(18-25-7-9-26(67)10-8-25)59-42(77)27(53)19-39(73)74)50(85)60-32(20-40(75)76)46(81)61-33(21-65)47(82)55-24(3)51(86)64-17-5-6-35(64)49(84)57-29(12-15-37(69)70)43(78)58-30(52(87)88)13-16-38(71)72/h7-10,23-24,27-35,41,65-67H,4-6,11-22,53H2,1-3H3,(H2,54,68)(H,55,82)(H,56,83)(H,57,84)(H,58,78)(H,59,77)(H,60,85)(H,61,81)(H,62,80)(H,63,79)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,87,88)/t23-,24-,27-,28-,29-,30-,31-,32-,33-,34-,35-,41-/m0/s1
Affinity DataKd:  476nMpH: 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