Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetATPase family AAA domain-containing protein 2B
LigandBDBM249277
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1832505 (CHEMBL4332513)
Kd>10000±n/a nM
Citation Sperandio, DAktoudianakis, VBabaoglu, KChen, XElbel, KChin, GCorkey, BDu, JJiang, BKobayashi, TMackman, RMartinez, RYang, HZablocki, JKusam, SJordan, KWebb, HBates, JGLad, LMish, MNiedziela-Majka, AMetobo, SSapre, AHung, MJin, DFung, WKan, EEisenberg, GLarson, NNewby, ZERLansdon, ETay, CNeve, RMShevick, SLBreckenridge, DG Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg Med Chem27:457-469 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
ATPase family AAA domain-containing protein 2B
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:
MVNTRKSSLRLLGSKSPGPGPGPGAGAEPGATGGSSHFISSRTRSSKTRAASCPAAKAGG
SGGAGVTLDEARKVEVDGSLSDSHVSPPAKRTLKQPDSVCKDKSKSRSTGQREEWNLSTG
QARLTSQPGATLPNGHSGLSLRSHPLRGEKKGDGDLSCINGDMEVRKSCRSRKNRFESVN
QSLLFDQLVNSTAEAVLQEMDNINIRQNRRSGEVERLRMWTDTEFENMDMYSRVKRRRKS
LRRNSYGIQNHHEVSTEGEEEESQEEDGDIEVEEAEGEENDRPYNLRQRKTVDRYQAPPI
VPAHQKKRENTLFDIHRSPARRSHIRRKKHAIHSSDTTSSDEERFERRKSKSMARARNRC
LPMNFRAEDLASGILRERVKVGASLADVDPMNIDKSVRFDSIGGLSHHIHALKEMVVFPL
LYPEIFEKFKIQPPRGCLFYGPPGTGKTLVARALANECSQGDKKVAFFMRKGADCLSKWV
GESERQLRLLFDQAYLMRPSIIFFDEIDGLAPVRSSRQDQIHSSIVSTLLALMDGLDNRG
EIVVIGATNRLDSIDPALRRPGRFDREFLFNLPDQKARKHILQIHTRDWNPKLSDAFLGE
LAEKCVGYCGADIKALCTEAALIALRRRYPQIYASSHKLQLDVSSIVLSAQDFYHAMQNI
VPASQRAVMSSGHALSPIIRPLLERSFNNILAVLQKVFPHAEISQSDKKEDIETLILEDS
EDENALSIFETNCHSGSPKKQSSSAAIHKPYLHFTMSPYHQPTSYRPRLLLSGERGSGQT
SHLAPALLHTLERFSVHRLDLPALYSVSAKTPEESCAQIFREARRTVPSIVYMPHIGDWW
EAVSETVRATFLTLLQDIPSFSPIFLLSTSETMYSELPEEVKCIFRIQYEEVLYIQRPIE
EDRRKFFQELILNQASMAPPRRKHAALCAMEVLPLALPSPPRQLSESEKSRMEDQEENTL
RELRLFLRDVTKRLATDKRFNIFSKPVDIEEVSDYLEVIKEPMDLSTVITKIDKHNYLTA
KDFLKDIDLICSNALEYNPDKDPGDKIIRHRACTLKDTAHAIIAAELDPEFNKLCEEIKE
ARIKRGLSVTSEQINPHSTGARKTETRVEEAFRHKQRNPMDVWHNSANKCAFRVRRKSRR
RSQWGKGIIKKRKVNNLKKDEEDTKFADYENHTEDRKLLENGEFEVSTDCHEENGEETGD
LSMTNDESSCDIMDLDQGQRLNNGAGTKENFASTEEESSNESLLVNSSSSLNPEQTSRKE
TFLKGNCLNGEASTDSFEGIPVLECQNGKLEVVSFCDSGDKCSSEQKILLEDQSKEKPET
STENHGDDLEKLEALECSNNEKLEPGSDVEVKDAELDKEGASKVKKYRKLILEQAKTTSL
ELVPEEPSEPVPPLIVDRERLKKLLDLLVDKSNNLAVDQLERLYSLLSQCIYRHRKDYDK
SQLVEEMERTVHMFETFL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM249277
n/a
NameBDBM249277
Synonyms:US10017501, Compound 1020-18 | US9458145, 1020-18
TypeSmall organic molecule
Emp. Form.C25H22N4O
Mol. Mass.394.4684
SMILESCc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: