Reaction Details Report a problem with these data
Target
ATPase family AAA domain-containing protein 2B
Ligand
BDBM50584925
Substrate
n/a
Meas. Tech.
ChEMBL_2160942 (CHEMBL5045692)
Kd
7.9±n/a nM
Citation
 Winter-Holt, JJ; Bardelle, C; Chiarparin, E; Dale, IL; Davey, PRJ; Davies, NL; Denz, C; Fillery, SM; Guérot, CM; Han, F; Hughes, SJ; Kulkarni, M; Liu, Z; Milbradt, A; Moss, TA; Niu, H; Patel, J; Rabow, AA; Schimpl, M; Shi, J; Sun, D; Yang, D; Guichard, S Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J Med Chem 65:3306-3331 (2022) [PubMed]  Article 
Target
Name:
ATPase family AAA domain-containing protein 2B
Synonyms:
ATAD2B | ATD2B_HUMAN | ATPase family AAA domain-containing protein 2B | KIAA1240
Type:
PROTEIN
Mol. Mass.:
164918.65
Organism:
Homo sapiens (Human)
Description:
ChEMBL_105350
Residue:
1458
Sequence:
MVNTRKSSLRLLGSKSPGPGPGPGAGAEPGATGGSSHFISSRTRSSKTRAASCPAAKAGGSGGAGVTLDEARKVEVDGSLSDSHVSPPAKRTLKQPDSVCKDKSKSRSTGQREEWNLSTGQARLTSQPGATLPNGHSGLSLRSHPLRGEKKGDGDLSCINGDMEVRKSCRSRKNRFESVNQSLLFDQLVNSTAEAVLQEMDNINIRQNRRSGEVERLRMWTDTEFENMDMYSRVKRRRKSLRRNSYGIQNHHEVSTEGEEEESQEEDGDIEVEEAEGEENDRPYNLRQRKTVDRYQAPPIVPAHQKKRENTLFDIHRSPARRSHIRRKKHAIHSSDTTSSDEERFERRKSKSMARARNRCLPMNFRAEDLASGILRERVKVGASLADVDPMNIDKSVRFDSIGGLSHHIHALKEMVVFPLLYPEIFEKFKIQPPRGCLFYGPPGTGKTLVARALANECSQGDKKVAFFMRKGADCLSKWVGESERQLRLLFDQAYLMRPSIIFFDEIDGLAPVRSSRQDQIHSSIVSTLLALMDGLDNRGEIVVIGATNRLDSIDPALRRPGRFDREFLFNLPDQKARKHILQIHTRDWNPKLSDAFLGELAEKCVGYCGADIKALCTEAALIALRRRYPQIYASSHKLQLDVSSIVLSAQDFYHAMQNIVPASQRAVMSSGHALSPIIRPLLERSFNNILAVLQKVFPHAEISQSDKKEDIETLILEDSEDENALSIFETNCHSGSPKKQSSSAAIHKPYLHFTMSPYHQPTSYRPRLLLSGERGSGQTSHLAPALLHTLERFSVHRLDLPALYSVSAKTPEESCAQIFREARRTVPSIVYMPHIGDWWEAVSETVRATFLTLLQDIPSFSPIFLLSTSETMYSELPEEVKCIFRIQYEEVLYIQRPIEEDRRKFFQELILNQASMAPPRRKHAALCAMEVLPLALPSPPRQLSESEKSRMEDQEENTLRELRLFLRDVTKRLATDKRFNIFSKPVDIEEVSDYLEVIKEPMDLSTVITKIDKHNYLTAKDFLKDIDLICSNALEYNPDKDPGDKIIRHRACTLKDTAHAIIAAELDPEFNKLCEEIKEARIKRGLSVTSEQINPHSTGARKTETRVEEAFRHKQRNPMDVWHNSANKCAFRVRRKSRRRSQWGKGIIKKRKVNNLKKDEEDTKFADYENHTEDRKLLENGEFEVSTDCHEENGEETGDLSMTNDESSCDIMDLDQGQRLNNGAGTKENFASTEEESSNESLLVNSSSSLNPEQTSRKETFLKGNCLNGEASTDSFEGIPVLECQNGKLEVVSFCDSGDKCSSEQKILLEDQSKEKPETSTENHGDDLEKLEALECSNNEKLEPGSDVEVKDAELDKEGASKVKKYRKLILEQAKTTSLELVPEEPSEPVPPLIVDRERLKKLLDLLVDKSNNLAVDQLERLYSLLSQCIYRHRKDYDKSQLVEEMERTVHMFETFL
  
Inhibitor
Name:
BDBM50584925
Synonyms:
CHEMBL5079885
Type:
Small organic molecule
Emp. Form.:
C30H39FN8O2
Mol. Mass.:
562.6815
SMILES:
[H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|
Structure:
Search PDB for entries with ligand similarity: