Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetLysine-specific histone demethylase 2
LigandBDBM50151585
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1561056 (CHEMBL3776539)
IC50 13200±n/a nM
Citation Itoh, YAihara, KMellini, PTojo, TOta, YTsumoto, HSolomon, VRZhan, PSuzuki, MOgasawara, DShigenaga, AInokuma, TNakagawa, HMiyata, NMizukami, TOtaka, ASuzuki, T Identification of SNAIL1 Peptide-Based Irreversible Lysine-Specific Demethylase 1-Selective Inactivators. J Med Chem59:1531-44 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Lysine-specific histone demethylase 2
Name:Lysine-specific histone demethylase 2
Synonyms:AOF1 | C6orf193 | Flavin-containing amine oxidase domain-containing protein 1 | KDM1B | KDM1B_HUMAN | LSD2 | Lysine-specific histone demethylase 1B | Lysine-specific histone demethylase 2
Type:PROTEIN
Mol. Mass.:92112.91
Organism:Homo sapiens (Human)
Description:ChEMBL_992590
Residue:822
Sequence:
MATPRGRTKKKASFDHSPDSLPLRSSGRQAKKKATETTDEDEDGGSEKKYRKCEKAGCTA
TCPVCFASASERCAKNGYTSRWYHLSCGEHFCNECFDHYYRSHKDGYDKYTTWKKIWTSN
GKTEPSPKAFMADQQLPYWVQCTKPECRKWRQLTKEIQLTPQIAKTYRCGMKPNTAIKPE
TSDHCSLPEDLRVLEVSNHWWYSMLILPPLLKDSVAAPLLSAYYPDCVGMSPSCTSTNRA
AATGNASPGKLEHSKAALSVHVPGMNRYFQPFYQPNECGKALCVRPDVMELDELYEFPEY
SRDPTMYLALRNLILALWYTNCKEALTPQKCIPHIIVRGLVRIRCVQEVERILYFMTRKG
LINTGVLSVGADQYLLPKDYHNKSVIIIGAGPAGLAAARQLHNFGIKVTVLEAKDRIGGR
VWDDKSFKGVTVGRGAQIVNGCINNPVALMCEQLGISMHKFGERCDLIQEGGRITDPTID
KRMDFHFNALLDVVSEWRKDKTQLQDVPLGEKIEEIYKAFIKESGIQFSELEGQVLQFHL
SNLEYACGSNLHQVSARSWDHNEFFAQFAGDHTLLTPGYSVIIEKLAEGLDIQLKSPVQC
IDYSGDEVQVTTTDGTGYSAQKVLVTVPLALLQKGAIQFNPPLSEKKMKAINSLGAGIIE
KIALQFPYRFWDSKVQGADFFGHVPPSASKRGLFAVFYDMDPQKKHSVLMSVIAGEAVAS
VRTLDDKQVLQQCMATLRELFKEQEVPDPTKYFVTRWSTDPWIQMAYSFVKTGGSGEAYD
IIAEDIQGTVFFAGEATNRHFPQTVTGAYLSGVREASKIAAF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50151585
n/a
NameBDBM50151585
Synonyms:CHEMBL3774476
TypeSmall organic molecule
Emp. Form.C149H267N69O37
Mol. Mass.3617.1544
SMILESCC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: