Reaction Details Report a problem with these data
Target
Aspartyl/asparaginyl beta-hydroxylase
Ligand
BDBM50547622
Substrate
n/a
Meas. Tech.
ChEMBL_2018811 (CHEMBL4672389)
IC50
16400±n/a nM
Citation
 Brewitz, L; Tumber, A; Zhang, X; Schofield, CJ Small-molecule active pharmaceutical ingredients of approved cancer therapeutics inhibit human aspartate/asparagine-?-hydroxylase. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Aspartyl/asparaginyl beta-hydroxylase
Synonyms:
1.14.11.16 | ASP beta-hydroxylase | ASPH | ASPH_HUMAN | Aspartate beta-hydroxylase | Aspartyl/asparaginyl beta-hydroxylase | BAH | Peptide-aspartate beta-dioxygenase
Type:
PROTEIN
Mol. Mass.:
85823.27
Organism:
Homo sapiens
Description:
ChEMBL_120098
Residue:
758
Sequence:
MAQRKNAKSSGNSSSSGSGSGSTSAGSSSPGARRETKHGGHKNGRKGGLSGTSFFTWFMVIALLGVWTSVAVVWFDLVDYEEVLGKLGIYDADGDGDFDVDDAKVLLGLKERSTSEPAVPPEEAEPHTEPEEQVPVEAEPQNIEDEAKEQIQSLLHEMVHAEHVEGEDLQQEDGPTGEPQQEDDEFLMATDVDDRFETLEPEVSHEETEHSYHVEETVSQDCNQDMEEMMSEQENPDSSEPVVEDERLHHDTDDVTYQVYEEQAVYEPLENEGIEITEVTAPPEDNPVEDSQVIVEEVSIFPVEEQQEVPPETNRKTDDPEQKAKVKKKKPKLLNKFDKTIKAELDAAEKLRKRGKIEEAVNAFKELVRKYPQSPRARYGKAQCEDDLAEKRRSNEVLRGAIETYQEVASLPDVPADLLKLSLKRRSDRQQFLGHMRGSLLTLQRLVQLFPNDTSLKNDLGVGYLLIGDNDNAKKVYEEVLSVTPNDGFAKVHYGFILKAQNKIAESIPYLKEGIESGDPGTDDGRFYFHLGDAMQRVGNKEAYKWYELGHKRGHFASVWQRSLYNVNGLKAQPWWTPKETGYTELVKSLERNWKLIRDEGLAVMDKAKGLFLPEDENLREKGDWSQFTLWQQGRRNENACKGAPKTCTLLEKFPETTGCRRGQIKYSIMHPGTHVWPHTGPTNCRLRMHLGLVIPKEGCKIRCANETKTWEEGKVLIFDDSFEHEVWQDASSFRLIFIVDVWHPELTPQQRRSLPAI
  
Inhibitor
Name:
BDBM50547622
Synonyms:
CHEMBL4777255
Type:
Small organic molecule
Emp. Form.:
C21H23N3O4S
Mol. Mass.:
413.49
SMILES:
CS(O)(=O)=O.COc1c\c([nH]\c1=C/c1[nH]c(C)cc1C)=C1/C=c2ccccc2=N1 |c:29,t:22|
Structure:
Search PDB for entries with ligand similarity: