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Target
Pantothenate kinase 1
Ligand
BDBM50071382
Substrate
n/a
Meas. Tech.
ChEMBL_1469796 (CHEMBL3413790)
IC50
280±n/a nM
Citation
 Sharma, LK; Leonardi, R; Lin, W; Boyd, VA; Goktug, A; Shelat, AA; Chen, T; Jackowski, S; Rock, CO A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases. J Med Chem 58:1563-8 (2015) [PubMed]  Article 
Target
Name:
Pantothenate kinase 1
Synonyms:
PANK | PANK1 | PANK1_HUMAN | Pantothenate kinase 1 | Pantothenic acid kinase 1 | hPanK | hPanK1
Type:
PROTEIN
Mol. Mass.:
64345.71
Organism:
Human
Description:
ChEMBL_109585
Residue:
598
Sequence:
MLKLVGGGGGQDWACSVAGTSLGGEEAAFEVARPGDQGKAGGGSPGWGCAGIPDSAPGAGVLQAGAVGPARGGQGAEEVGESAGGGEERRVRHPQAPALRLLNRKPQGGSGEIKTPENDLQRGRLSRGPRTAPPAPGMGDRSGQQERSVPHSPGAPVGTSAAAVNGLLHNGFHPPPVQPPHVCSRGPVGGSDAAPQRLPLLPELQPQPLLPQHDSPAKKCRLRRRMDSGRKNRPPFPWFGMDIGGTLVKLVYFEPKDITAEEEQEEVENLKSIRKYLTSNTAYGKTGIRDVHLELKNLTMCGRKGNLHFIRFPSCAMHRFIQMGSEKNFSSLHTTLCATGGGAFKFEEDFRMIADLQLHKLDELDCLIQGLLYVDSVGFNGKPECYYFENPTNPELCQKKPYCLDNPYPMLLVNMGSGVSILAVYSKDNYKRVTGTSLGGGTFLGLCCLLTGCETFEEALEMAAKGDSTNVDKLVKDIYGGDYERFGLQGSAVASSFGNMMSKEKRDSISKEDLARATLVTITNNIGSIARMCALNENIDRVVFVGNFLRINMVSMKLLAYAMDFWSKGQLKALFLEHEGYFGAVGALLELFKMTDDK
  
Inhibitor
Name:
BDBM50071382
Synonyms:
CHEMBL1555019
Type:
Small organic molecule
Emp. Form.:
C21H21N5O2
Mol. Mass.:
375.4237
SMILES:
COc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Structure:
Search PDB for entries with ligand similarity: