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Target
Thymidylate kinase
Ligand
BDBM50365394
Substrate
n/a
Meas. Tech.
ChEMBL_807088 (CHEMBL1959666)
IC50
124000±n/a nM
Citation
 Choi, JY; Plummer, MS; Starr, J; Desbonnet, CR; Soutter, H; Chang, J; Miller, JR; Dillman, K; Miller, AA; Roush, WR Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J Med Chem 55:852-70 (2012) [PubMed]  Article 
Target
Name:
Thymidylate kinase
Synonyms:
CDC8 | DTYMK | KTHY_HUMAN | TMPK | TYMK
Type:
PROTEIN
Mol. Mass.:
23824.09
Organism:
Homo sapiens (Human)
Description:
ChEMBL_946051
Residue:
212
Sequence:
MAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIGKLLSSYLQKKSDVEDHSVHLLFSANRWEQVPLIKEKLSQGVTLVVDRYAFSGVAFTGAKENFSLDWCKQPDVGLPKPDLVLFLQLQLADAAKRGAFGHERYENGAFQERALRCFHQLMKDTTLNWKMVDASKSIEAVHEDIRVLSEDAIRTATEKPLGELWK
  
Inhibitor
Name:
BDBM50365394
Synonyms:
CHEMBL1956676
Type:
Small organic molecule
Emp. Form.:
C24H21F3N4O2
Mol. Mass.:
454.4443
SMILES:
Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccc(cc1)C(F)(F)F
Structure:
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