Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase, mitochondrial
Ligand
BDBM23447
Substrate
n/a
Meas. Tech.
ChEMBL_2045379 (CHEMBL4700078)
EC50
7900±n/a nM
Citation
 Zhang, Z; Barros-Álvarez, X; Gillespie, JR; Ranade, RM; Huang, W; Shibata, S; Molasky, NMR; Faghih, O; Mushtaq, A; Choy, RKM; de Hostos, E; Hol, WGJ; Verlinde, CLMJ; Buckner, FS; Fan, E Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against  RSC Med Chem 11:885-895 (2020) [PubMed]  Article 
Target
Name:
Methionine--tRNA ligase, mitochondrial
Synonyms:
6.1.1.10 | MARS2 | Methionine--tRNA ligase, mitochondrial | Methionyl-tRNA synthetase 2 | Mitochondrial methionyl-tRNA synthetase | MtMetRS | SYMM_HUMAN
Type:
PROTEIN
Mol. Mass.:
66605.24
Organism:
Homo sapiens
Description:
ChEMBL_120165
Residue:
593
Sequence:
MLRTSVLRLLGRTGASRLSLLEDFGPRYYSSGSLSAGDDACDVRAYFTTPIFYVNAAPHIGHLYSALLADALCRHRRLRGPSTAATRFSTGTDEHGLKIQQAAATAGLAPTELCDRVSEQFQQLFQEAGISCTDFIRTTEARHRVAVQHFWGVLKSRGLLYKGVYEGWYCASDECFLPEAKVTQQPGPSGDSFPVSLESGHPVSWTKEENYIFRLSQFRKPLQRWLRGNPQAITPEPFHHVVLQWLDEELPDLSVSRRSSHLHWGIPVPGDDSQTIYVWLDALVNYLTVIGYPNAEFKSWWPATSHIIGKDILKFHAIYWPAFLLGAGMSPPQRICVHSHWTVCGQKMSKSLGNVVDPRTCLNRYTVDGFRYFLLRQGVPNWDCDYYDEKVVKLLNSELADALGGLLNRCTAKRINPSETYPAFCTTCFPSEPGLVGPSVRAQAEDYALVSAVATLPKQVADHYDNFRIYKALEAVSSCVRQTNGFVQRHAPWKLNWESPVDAPWLGTVLHVALECLRVFGTLLQPVTPSLADKLLSRLGVSASERSLGELYFLPRFYGHPCPFEGRRLGPETGLLFPRLDQSRTWLVKAHRT
  
Inhibitor
Name:
BDBM23447
Synonyms:
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide | Chloramphenicol | Chlornitromycin | Chloromycetin
Type:
Small organic molecule
Emp. Form.:
C11H12Cl2N2O5
Mol. Mass.:
323.129
SMILES:
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: