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Target
Histone acetyltransferase
Ligand
BDBM50372747
Substrate
n/a
Meas. Tech.
ChEMBL_1737904 (CHEMBL4153654)
IC50
500±n/a nM
Citation
 Xiong, H; Han, J; Wang, J; Lu, W; Wang, C; Chen, Y; Fulin Lian, na; Zhang, N; Liu, YC; Zhang, C; Ding, H; Jiang, H; Lu, W; Luo, C; Zhou, B Discovery of 1,8-acridinedione derivatives as novel GCN5 inhibitors via high throughput screening. Eur J Med Chem 151:740-751 (2018) [PubMed]  Article 
Target
Name:
Histone acetyltransferase
Synonyms:
Histone acetyltransferase GCN5
Type:
PROTEIN
Mol. Mass.:
48605.40
Organism:
Tetrahymena thermophila (strain SB210)
Description:
ChEMBL_117838
Residue:
418
Sequence:
MADQEKSAQDAQNAAPQETAFVGMNGEETGLGFATRDQGAKVEEDQGLLDFDILTNDGTHRNMKLLIDLKNIFSRQLPKMPKEYIVKLVFDRHHESMVILKNKQKVIGGICFRQYKPQRFAEVAFLAVTANEQVRGYGTRLMNKFKDHMQKQNIEYLLTYADNFAIGYFKKQGFTKEHRMPQEKWKGYIKDYDGGTLMECYIHPYVDYGNISQIIKRQKELLIERIKKLSLNEKVFSGKEYAALIQNSMDNEDPENPKVNPSDIPGVAFSGWEWKDYHELKKSKERSFNLQCANVIENMKRHKQSWPFLDPVNKDDVPDYYDVITDPIDIKAIEKKLQNNQYVDKDQFIKDVKRIFTNAKIYNQPDTIYYKAAKELEDFVEPYLTKLKDTKESNTPSNNNSAHGSKKPLPVRKSIKKK
  
Inhibitor
Name:
BDBM50372747
Synonyms:
CHEMBL4161210
Type:
Small organic molecule
Emp. Form.:
C115H204N41O45P3S
Mol. Mass.:
3006.084
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(CCCCNC(=O)C(C)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NCC(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(O)=O)C(O)=O |r|
Structure:
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