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Target
ATPase family AAA domain-containing protein 2
Ligand
BDBM50520627
Substrate
n/a
Meas. Tech.
ChEMBL_1881390 (CHEMBL4382889)
IC50
166±n/a nM
Citation
 Valeur, E; Jimonet, P New Modalities, Technologies, and Partnerships in Probe and Lead Generation: Enabling a Mode-of-Action Centric Paradigm. J Med Chem 61:9004-9029 (2018) [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:
BDBM50520627
Synonyms:
CHEMBL4536031
Type:
Small organic molecule
Emp. Form.:
C38H44ClN5O3
Mol. Mass.:
654.241
SMILES:
COc1cc(Cl)c(cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1)C(=O)N[C@@H](CN[C@@H]1CC[C@H](N)CC1)Cc1ccc(cc1)C#N |r,wU:31.33,34.37,15.16,wD:28.41,(53.24,-30.34,;54.54,-29.52,;54.48,-27.98,;55.78,-27.15,;55.71,-25.6,;57.01,-24.77,;54.34,-24.9,;53.05,-25.72,;53.11,-27.27,;51.81,-28.09,;51.72,-29.63,;50.23,-30.02,;49.4,-28.72,;47.87,-28.62,;47.01,-29.9,;45.48,-29.81,;44.79,-28.43,;44.62,-31.09,;43.09,-30.98,;42.23,-32.27,;42.92,-33.65,;42.07,-34.93,;44.46,-33.74,;45.31,-32.46,;50.38,-27.53,;54.27,-23.36,;55.57,-22.53,;52.9,-22.65,;52.83,-21.11,;54.13,-20.28,;54.06,-18.74,;55.36,-17.91,;56.72,-18.63,;58.02,-17.8,;57.95,-16.26,;59.25,-15.44,;56.59,-15.55,;55.28,-16.38,;51.47,-20.4,;50.17,-21.23,;48.81,-20.52,;47.51,-21.34,;47.58,-22.88,;48.96,-23.59,;50.25,-22.76,;46.29,-23.72,;44.99,-24.55,)|
Structure:
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