Reaction Details Report a problem with these data
Target
Pantothenate kinase 2, mitochondrial
Ligand
BDBM50071456
Substrate
n/a
Meas. Tech.
ChEMBL_1469794 (CHEMBL3413788)
IC50
92±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 2, mitochondrial
Synonyms:
C20orf48 | PANK2 | PANK2_HUMAN | Pantothenate kinase 2, mitochondrial | Pantothenic acid kinase 2 | hPanK2
Type:
PROTEIN
Mol. Mass.:
62702.05
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109586
Residue:
570
Sequence:
MRRLGPFHPRVHWAAPPSLSSGLHRLLFLRGTRIPSSTTLSPPRHDSLSLDGGTVNPPRVREPTGREAFGPSPASSDWLPARWRNGRGGRPRARLCSGWTAAEEARRNPTLGGLLGRQRLLLRMGGGRLGAPMERHGRASATSVSSAGEQAAGDPEGRRQEPLRRRASSASVPAVGASAEGTRRDRLGSYSGPTSVSRQRVESLRKKRPLFPWFGLDIGGTLVKLVYFEPKDITAEEEEEEVESLKSIRKYLTSNVAYGSTGIRDVHLELKDLTLCGRKGNLHFIRFPTHDMPAFIQMGRDKNFSSLHTVFCATGGGAYKFEQDFLTIGDLQLCKLDELDCLIKGILYIDSVGFNGRSQCYYFENPADSEKCQKLPFDLKNPYPLLLVNIGSGVSILAVYSKDNYKRVTGTSLGGGTFFGLCCLLTGCTTFEEALEMASRGDSTKVDKLVRDIYGGDYERFGLPGWAVASSFGNMMSKEKREAVSKEDLARATLITITNNIGSIARMCALNENINQVVFVGNFLRINTIAMRLLAYALDYWSKGQLKALFSEHEGYFGAVGALLELLKIP
  
Inhibitor
Name:
BDBM50071456
Synonyms:
CHEMBL3410246
Type:
Small organic molecule
Emp. Form.:
C21H21N5OS
Mol. Mass.:
391.489
SMILES:
CSc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Structure:
Search PDB for entries with ligand similarity: