Reaction Details Report a problem with these data
Target
Alpha-crystallin A chain
Ligand
BDBM50459236
Substrate
n/a
Meas. Tech.
ChEMBL_1765951 (CHEMBL4201198)
EC50
36±n/a nM
Citation
 Yang, X; Chen, XJ; Yang, Z; Xi, YB; Wang, L; Wu, Y; Yan, YB; Rao, Y Synthesis, Evaluation, and Structure-Activity Relationship Study of Lanosterol Derivatives To Reverse Mutant-Crystallin-Induced Protein Aggregation. J Med Chem 61:8693-8706 (2018) [PubMed]  Article 
Target
Name:
Alpha-crystallin A chain
Synonyms:
Alpha-crystallin A(1-162) | Alpha-crystallin A(1-168) | Alpha-crystallin A(1-172) | CRYA1 | CRYAA | CRYAA_HUMAN | HSPB4 | Heat shock protein beta-4
Type:
PROTEIN
Mol. Mass.:
19907.56
Organism:
Homo sapiens
Description:
ChEMBL_118410
Residue:
173
Sequence:
MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEKPTSAPSS
  
Inhibitor
Name:
BDBM50459236
Synonyms:
CHEMBL4203007
Type:
Small organic molecule
Emp. Form.:
C30H52O2
Mol. Mass.:
444.7327
SMILES:
[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCCC(C)(C)O |r,c:6|
Structure:
Search PDB for entries with ligand similarity: