Reaction Details Report a problem with these data
Target
Tyrosinase
Ligand
BDBM50176699
Substrate
n/a
Meas. Tech.
ChEMBL_329866 (CHEMBL870599)
IC50
13950±n/a nM
Citation
 Casañola-Martín, GM; Khan, MT; Marrero-Ponce, Y; Ather, A; Sultankhodzhaev, MN; Torrens, F New tyrosinase inhibitors selected by atomic linear indices-based classification models. Bioorg Med Chem Lett 16:324-30 (2005) [PubMed]  Article 
Target
Name:
Tyrosinase
Synonyms:
LB24-AB | Monophenol monooxygenase | SK29-AB | TYR | TYRO_HUMAN | Tumor rejection antigen AB
Type:
Protein
Mol. Mass.:
60388.08
Organism:
Homo sapiens (Human)
Description:
P14679
Residue:
529
Sequence:
MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL
  
Inhibitor
Name:
BDBM50176699
Synonyms:
CHEMBL411981 | askendoside B
Type:
Small organic molecule
Emp. Form.:
C47H76O18
Mol. Mass.:
929.0955
SMILES:
CC(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]34C[C@]33CC[C@]5(C)[C@H]([C@@H](O)C[C@@]5(C)[C@@H]3C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)[C@@]2(C)CC[C@@H](O2)C(C)(C)O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
Structure:
Search PDB for entries with ligand similarity: