Reaction Details Report a problem with these data
Target
Phenylalanine--tRNA ligase, mitochondrial
Ligand
BDBM50140708
Substrate
n/a
Meas. Tech.
ChEBML_154873
IC50
>100000±n/a nM
Citation
 Yu, XY; Finn, J; Hill, JM; Wang, ZG; Keith, D; Silverman, J; Oliver, N A series of spirocyclic analogues as potent inhibitors of bacterial phenylalanyl-tRNA synthetases. Bioorg Med Chem Lett 14:1339-42 (2004) [PubMed]  Article 
Target
Name:
Phenylalanine--tRNA ligase, mitochondrial
Synonyms:
FARS1 | FARS2 | PheRS | Phenylalanine--tRNA ligase | Phenylalanyl-tRNA synthetase mitochondrial | Phenylalanyl-tRNA synthetase, mitochondrial | SYFM_HUMAN
Type:
PROTEIN
Mol. Mass.:
52367.99
Organism:
Homo sapiens (Human)
Description:
ChEMBL_154870
Residue:
451
Sequence:
MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF
  
Inhibitor
Name:
BDBM50140708
Synonyms:
5-(2-methoxyphenyl)-3-(2-methylphenyl)-(3R,3aS,6aR)-spiro[perhydrofuro[3,4-c]pyrrole-1,2'-(2',3'-dihydro-1'H-indene)]-1',3',4,6-tetraone | CHEMBL26600
Type:
Small organic molecule
Emp. Form.:
C28H21NO6
Mol. Mass.:
467.4694
SMILES:
COc1ccccc1-n1c(O)c2C(OC3(C(=O)c4ccccc4C3=O)c2c1O)c1ccccc1C |(13.87,-8.94,;12.54,-8.15,;11.21,-8.92,;11.21,-10.46,;9.88,-11.25,;8.54,-10.46,;8.54,-8.92,;9.88,-8.15,;9.88,-6.61,;11.08,-5.67,;12.58,-6.1,;10.55,-4.22,;10.95,-2.74,;9.67,-1.89,;8.47,-2.85,;7.08,-3.48,;6.79,-5,;6.03,-2.32,;4.49,-2.32,;3.72,-.99,;4.49,.34,;6.03,.34,;6.8,-.99,;8.31,-1.31,;9.46,-.29,;9.01,-4.29,;8.59,-5.77,;7.15,-6.31,;12.42,-2.27,;12.76,-.78,;14.22,-.31,;15.36,-1.36,;15.03,-2.85,;13.56,-3.31,;13.24,-4.81,)|
Structure:
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