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Target
Methionine--tRNA ligase, mitochondrial
Ligand
BDBM50553191
Substrate
n/a
Meas. Tech.
ChEMBL_2045379 (CHEMBL4700078)
EC50
478±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:
BDBM50553191
Synonyms:
CHEMBL4745092
Type:
Small organic molecule
Emp. Form.:
C22H17Cl2N5O2
Mol. Mass.:
454.309
SMILES:
COc1cc(Cl)c(cc1OC)-c1cccc2nc(Cc3nc4nc(Cl)ccc4[nH]3)cn12
Structure:
Search PDB for entries with ligand similarity: