Reaction Details Report a problem with these data
Target
Outer membrane protein MIP
Ligand
BDBM50565509
Substrate
n/a
Meas. Tech.
ChEMBL_2092219 (CHEMBL4773482)
IC50
1700±n/a nM
Citation
 Scheuplein, NJ; Bzdyl, NM; Kibble, EA; Lohr, T; Holzgrabe, U; Sarkar-Tyson, M Targeting Protein Folding: A Novel Approach for the Treatment of Pathogenic Bacteria. J Med Chem 63:13355-13388 (2020) [PubMed]  Article 
Target
Name:
Outer membrane protein MIP
Synonyms:
MIP_LEGPN | Macrophage infectivity potentiator | PPIase | Peptidyl-prolyl cis-trans isomerase | Rotamase | mip
Type:
PROTEIN
Mol. Mass.:
24869.94
Organism:
Legionella pneumophila
Description:
ChEMBL_701873
Residue:
233
Sequence:
MKMKLVTAAVMGLAMSTAMAATDATSLATDKDKLSYSIGADLGKNFKNQGIDVNPEAMAKGMQDAMSGAQLALTEQQMKDVLNKFQKDLMAKRTAEFNKKADENKVKGEAFLTENKNKPGVVVLPSGLQYKVINAGNGVKPGKSDTVTVEYTGRLIDGTVFDSTEKTGKPATFQVSQVIPGWTEALQLMPAGSTWEIYVPSGLAYGPRSVGGPIGPNETLIFKIHLISVKKSS
  
Inhibitor
Name:
BDBM50565509
Synonyms:
CHEMBL4790993
Type:
Small organic molecule
Emp. Form.:
C29H44N2O5
Mol. Mass.:
500.6701
SMILES:
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)NC2C3CC4(C)CC2CC(C)(C3)C4)C(=O)C1 |r,wU:1.0,wD:3.3,9.10,TLB:25:24:21:28.31.29,30:29:21:23.24.26,20:21:28.31.29:23.24.26,20:21:26:28.29.32,31:29:21.22.23:26,THB:32:29:21:23.24.26,32:24:21:28.31.29,31:22:26:28.29.32,(-6.82,-3.14,;-6.82,-1.6,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-5.49,.71,;-5.49,-.83,;-4.15,1.48,;-4.15,3.02,;-2.82,.71,;-1.49,1.48,;-1.49,3.02,;-.15,3.8,;-.15,5.34,;1.18,3.02,;2.52,3.79,;3.85,3.02,;3.85,1.48,;5.18,3.79,;6.52,3.02,;8.01,2.64,;8.8,4.01,;10.3,4.55,;11.07,5.88,;8.91,4.81,;8.18,3.53,;9.08,2.46,;10.44,2.06,;11.45,.89,;8.94,1.47,;11.21,3.37,;1.18,1.48,;2.52,.71,;-.15,.71,)|
Structure:
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