Reaction Details Report a problem with these data
Target
Outer membrane protein MIP
Ligand
BDBM50565511
Substrate
n/a
Meas. Tech.
ChEMBL_2092219 (CHEMBL4773482)
IC50
5600±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:
BDBM50565511
Synonyms:
CHEMBL4788177
Type:
Small organic molecule
Emp. Form.:
C29H44N2O5
Mol. Mass.:
500.6701
SMILES:
CCC12CC3CC(C1)C(NC(=O)CN1C(=O)CC(C[C@@H](O)C4C[C@@H](C)C[C@H](C)C4=O)CC1=O)C(C3)C2 |r,wU:23.24,wD:26.27,19.20,TLB:1:2:8:5.34.4,34:33:7:5.4.3,THB:3:4:8:35.2.7,3:2:8:5.34.4,9:8:5.34.4:35.2.7,9:8:7:5.4.3,34:4:8.33.35:7,(12.61,5.88,;11.07,5.88,;10.3,4.55,;11.21,3.37,;10.44,2.06,;9.08,2.46,;8.18,3.53,;8.91,4.81,;6.52,3.02,;5.18,3.79,;3.85,3.02,;3.85,1.48,;2.52,3.79,;1.18,3.02,;-.15,3.8,;-.15,5.34,;-1.49,3.02,;-1.49,1.48,;-2.82,.71,;-4.15,1.48,;-4.15,3.02,;-5.49,.71,;-5.49,-.83,;-6.82,-1.6,;-6.82,-3.14,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-.15,.71,;1.18,1.48,;2.52,.71,;8.01,2.64,;8.94,1.47,;8.8,4.01,)|
Structure:
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