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Target
Pantothenate kinase 3
Ligand
BDBM94728
Substrate
n/a
Meas. Tech.
ChEMBL_2170243 (CHEMBL5055302)
IC50
3300±n/a nM
Citation
 Sharma, LK; Yun, MK; Subramanian, C; Tangallapally, R; Jackowski, S; Rock, CO; White, SW; Lee, RE LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators. Bioorg Med Chem 52:0 (2021) [PubMed]  Article 
Target
Name:
Pantothenate kinase 3
Synonyms:
PANK3 | PANK3_HUMAN | Pantothenate kinase 3 | Pantothenic acid kinase 3 | hPanK3
Type:
PROTEIN
Mol. Mass.:
41093.59
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109587
Residue:
370
Sequence:
MKIKDAKKPSFPWFGMDIGGTLVKLSYFEPIDITAEEEQEEVESLKSIRKYLTSNVAYGSTGIRDVHLELKDLTLFGRRGNLHFIRFPTQDLPTFIQMGRDKNFSTLQTVLCATGGGAYKFEKDFRTIGNLHLHKLDELDCLVKGLLYIDSVSFNGQAECYYFANASEPERCQKMPFNLDDPYPLLVVNIGSGVSILAVHSKDNYKRVTGTSLGGGTFLGLCSLLTGCESFEEALEMASKGDSTQADKLVRDIYGGDYERFGLPGWAVASSFGNMIYKEKRESVSKEDLARATLVTITNNIGSVARMCAVNEKINRVVFVGNFLRVNTLSMKLLAYALDYWSKGQLKALFLEHEGYFGAVGALLGLPNFS
  
Inhibitor
Name:
BDBM94728
Synonyms:
4-(4-acetylphenyl)-N-(4-isopropylphenyl)piperazine-1-carboxamide | 4-(4-acetylphenyl)-N-(4-propan-2-ylphenyl)-1-piperazinecarboxamide | 4-(4-acetylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide | 4-(4-acetylphenyl)-N-p-cumenyl-piperazine-1-carboxamide | 4-(4-ethanoylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide | MLS000660726 | SMR000310244 | cid_16012854
Type:
Small organic molecule
Emp. Form.:
C22H27N3O2
Mol. Mass.:
365.4687
SMILES:
CC(C)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(C)=O)cc1
Structure:
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