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Target
Histone acetyltransferase KAT2B
Ligand
BDBM50512955
Substrate
n/a
Meas. Tech.
ChEMBL_1850994 (CHEMBL4351618)
Kd
7800±n/a nM
Citation
 Huang, L; Li, H; Li, L; Niu, L; Seupel, R; Wu, C; Cheng, W; Chen, C; Ding, B; Brennan, PE; Yang, S Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain. J Med Chem 62:4526-4542 (2019) [PubMed]  Article 
Target
Name:
Histone acetyltransferase KAT2B
Synonyms:
Histone acetyltransferase KAT2A/KAT2B | Histone acetyltransferase PCAF | KAT2B | KAT2B_HUMAN | PCAF
Type:
PROTEIN
Mol. Mass.:
93045.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1502838
Residue:
832
Sequence:
MSEAGGAGPGGCGAGAGAGAGPGALPPQPAALPPAPPQGSPCAAAAGGSGACGPATAVAAAGTAEGPGGGGSARIAVKKAQLRSAPRAKKLEKLGVYSACKAEESCKCNGWKNPNPSPTPPRADLQQIIVSLTESCRSCSHALAAHVSHLENVSEEEMNRLLGIVLDVEYLFTCVHKEEDADTKQVYFYLFKLLRKSILQRGKPVVEGSLEKKPPFEKPSIEQGVNNFVQYKFSHLPAKERQTIVELAKMFLNRINYWHLEAPSQRRLRSPNDDISGYKENYTRWLCYCNVPQFCDSLPRYETTQVFGRTLLRSVFTVMRRQLLEQARQEKDKLPLEKRTLILTHFPKFLSMLEEEVYSQNSPIWDQDFLSASSRTSQLGIQTVINPPPVAGTISYNSTSSSLEQPNAGSSSPACKASSGLEANPGEKRKMTDSHVLEEAKKPRVMGDIPMELINEVMSTITDPAAMLGPETNFLSAHSARDEAARLEERRGVIEFHVVGNSLNQKPNKKILMWLVGLQNVFSHQLPRMPKEYITRLVFDPKHKTLALIKDGRVIGGICFRMFPSQGFTEIVFCAVTSNEQVKGYGTHLMNHLKEYHIKHDILNFLTYADEYAIGYFKKQGFSKEIKIPKTKYVGYIKDYEGATLMGCELNPRIPYTEFSVIIKKQKEIIKKLIERKQAQIRKVYPGLSCFKDGVRQIPIESIPGIRETGWKPSGKEKSKEPRDPDQLYSTLKSILQQVKSHQSAWPFMEPVKRTEAPGYYEVIRFPMDLKTMSERLKNRYYVSKKLFMADLQRVFTNCKEYNPPESEYYKCANILEKFFFSKIKEAGLIDK
  
Inhibitor
Name:
BDBM50512955
Synonyms:
CHEMBL4454395
Type:
Small organic molecule
Emp. Form.:
C17H21N3O2
Mol. Mass.:
299.3675
SMILES:
C[C@H]1CC[C@@H](CC1)NC(=O)c1nn(C)c(=O)c2ccccc12 |r,wU:1.0,wD:4.7,(48.95,-4.33,;50.28,-5.1,;51.62,-4.34,;52.95,-5.1,;52.95,-6.65,;51.62,-7.42,;50.28,-6.64,;54.28,-7.42,;55.62,-6.64,;55.61,-5.1,;56.95,-7.41,;56.95,-8.95,;58.28,-9.71,;58.28,-11.25,;59.61,-8.95,;60.94,-9.72,;59.6,-7.41,;60.94,-6.65,;60.95,-5.11,;59.61,-4.34,;58.28,-5.1,;58.28,-6.63,)|
Structure:
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