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Target
Sepiapterin reductase
Ligand
BDBM50537637
Substrate
n/a
Meas. Tech.
ChEMBL_1970294 (CHEMBL4603112)
IC50
1288±n/a nM
Citation
 Gao, H; Schneider, S; Andrews, P; Wang, K; Huang, X; Sparling, BA Virtual screening to identify potent sepiapterin reductase inhibitors. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
Sepiapterin reductase
Synonyms:
SPR | SPRE_HUMAN | Sepiapterin reductase (SPR)
Type:
Enzyme
Mol. Mass.:
28050.66
Organism:
Homo sapiens (Human)
Description:
P35270
Residue:
261
Sequence:
MEGGLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSARNDEALRQLEAELGAERSGLRVVRVPADLGAEAGLQQLLGALRELPRPKGLQRLLLINNAGSLGDVSKGFVDLSDSTQVNNYWALNLTSMLCLTSSVLKAFPDSPGLNRTVVNISSLCALQPFKGWALYCAGKAARDMLFQVLALEEPNVRVLNYAPGPLDTDMQQLARETSVDPDMRKGLQELKAKGKLVDCKVSAQKLLSLLEKDEFKSGAHVDFYDK
  
Inhibitor
Name:
BDBM50537637
Synonyms:
CHEMBL4644624
Type:
Small organic molecule
Emp. Form.:
C27H30FN7O2
Mol. Mass.:
503.5712
SMILES:
CC(C)NC(=O)C1CCC(CC1)n1c2cc(Cn3cncn3)ccc2[nH]\c1=N/C(=O)c1ccc(F)cc1 |(65.7,-55.57,;64.19,-55.25,;63.71,-53.79,;63.16,-56.4,;61.66,-56.08,;60.63,-57.23,;61.18,-54.62,;59.67,-54.3,;59.19,-52.84,;60.22,-51.69,;61.72,-52,;62.2,-53.47,;59.73,-50.24,;58.26,-49.77,;56.92,-50.55,;55.59,-49.78,;54.25,-50.55,;54.25,-52.09,;53.01,-52.99,;53.49,-54.46,;55.03,-54.46,;55.51,-53,;55.59,-48.24,;56.92,-47.47,;58.26,-48.23,;59.72,-47.74,;60.63,-48.99,;62.17,-48.98,;62.94,-47.64,;62.16,-46.31,;64.48,-47.63,;65.25,-48.96,;66.79,-48.95,;67.55,-47.62,;69.09,-47.6,;66.77,-46.28,;65.23,-46.3,)|
Structure:
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