Reaction Details Report a problem with these data
Target
ATPase family AAA domain-containing protein 2
Ligand
BDBM50504152
Substrate
n/a
Meas. Tech.
ChEMBL_1813643 (CHEMBL4313217)
Kd
12589±n/a nM
Citation
 Bamborough, P; Chung, CW; Demont, EH; Bridges, AM; Craggs, PD; Dixon, DP; Francis, P; Furze, RC; Grandi, P; Jones, EJ; Karamshi, B; Locke, K; Lucas, SCC; Michon, AM; Mitchell, DJ; Pogány, P; Prinjha, RK; Rau, C; Roa, AM; Roberts, AD; Sheppard, RJ; Watson, RJ A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification. J Med Chem 62:7506-7525 (2019) [PubMed]  Article 
Target
Name:
ATPase family AAA domain-containing protein 2
Synonyms:
AAA nuclear coregulator cancer-associated protein | ANCCA | ATAD2 | ATAD2_HUMAN | PRO2000
Type:
PROTEIN
Mol. Mass.:
158546.30
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1500426
Residue:
1390
Sequence:
MVVLRSSLELHNHSAASATGSLDLSSDFLSLEHIGRRRLRSAGAAQKKPAATTAKAGDGSSVKEVETYHRTRALRSLRKDAQNSSDSSFEKNVEITEQLANGRHFTRQLARQQADKKKEEHREDKVIPVTRSLRARNIVQSTEHLHEDNGDVEVRRSCRIRSRYSGVNQSMLFDKLITNTAEAVLQKMDDMKKMRRQRMRELEDLGVFNETEESNLNMYTRGKQKDIQRTDEETTDNQEGSVESSEEGEDQEHEDDGEDEDDEDDDDDDDDDDDDDDEDDEDEEDGEEENQKRYYLRQRKATVYYQAPLEKPRHQRKPNIFYSGPASPARPRYRLSSAGPRSPYCKRMNRRRHAIHSSDSTSSSSSEDEQHFERRRKRSRNRAINRCLPLNFRKDELKGIYKDRMKIGASLADVDPMQLDSSVRFDSVGGLSNHIAALKEMVVFPLLYPEVFEKFKIQPPRGCLFYGPPGTGKTLVARALANECSQGDKRVAFFMRKGADCLSKWVGESERQLRLLFDQAYQMRPSIIFFDEIDGLAPVRSSRQDQIHSSIVSTLLALMDGLDSRGEIVVIGATNRLDSIDPALRRPGRFDREFLFSLPDKEARKEILKIHTRDWNPKPLDTFLEELAENCVGYCGADIKSICAEAALCALRRRYPQIYTTSEKLQLDLSSINISAKDFEVAMQKMIPASQRAVTSPGQALSTVVKPLLQNTVDKILEALQRVFPHAEFRTNKTLDSDISCPLLESDLAYSDDDVPSVYENGLSQKSSHKAKDNFNFLHLNRNACYQPMSFRPRILIVGEPGFGQGSHLAPAVIHALEKFTVYTLDIPVLFGVSTTSPEETCAQVIREAKRTAPSIVYVPHIHVWWEIVGPTLKATFTTLLQNIPSFAPVLLLATSDKPHSALPEEVQELFIRDYGEIFNVQLPDKEERTKFFEDLILKQAAKPPISKKKAVLQALEVLPVAPPPEPRSLTAEEVKRLEEQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESRKKRGCSSSKYAPSYYHVMPKQNSTLVGDKRSDPEQNEKLKTPSTPVACSTPAQLKRKIRKKSNWYLGTIKKRRKISQAKDDSQNAIDHKIESDTEETQDTSVDHNETGNTGESSVEENEKQQNASESKLELRNNSNTCNIENELEDSRKTTACTELRDKIACNGDASSSQIIHISDENEGKEMCVLRMTRARRSQVEQQQLITVEKALAILSQPTPSLVVDHERLKNLLKTVVKKSQNYNIFQLENLYAVISQCIYRHRKDHDKTSLIQKMEQEVENFSCSR
  
Inhibitor
Name:
BDBM50504152
Synonyms:
CHEMBL4594076
Type:
Small organic molecule
Emp. Form.:
C25H30N4O5S
Mol. Mass.:
498.595
SMILES:
Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)C1=O
Structure:
Search PDB for entries with ligand similarity: