Reaction Details Report a problem with these data
Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50545727
Substrate
n/a
Meas. Tech.
ChEMBL_1996279 (CHEMBL4630174)
IC50
<1.8±n/a nM
Citation
Gehling, VS; McGrath, JP; Duplessis, M; Khanna, A; Brucelle, F; Vaswani, RG; Côté, A; Stuckey, J; Watson, V; Cummings, RT; Balasubramanian, S; Iyer, P; Sawant, P; Good, AC; Albrecht, BK; Harmange, JC; Audia, JE; Bellon, SF; Trojer, P; Levell, JR Design and Synthesis of Styrenylcyclopropylamine LSD1 Inhibitors. ACS Med Chem Lett 11:1213-1220 (2020) [PubMed] Article
More Info.:
Target
Name:
Lysine-specific histone demethylase 1A
Synonyms:
AOF2 | BRAF35-HDAC complex protein BHC110 | Flavin-containing amine oxidase domain-containing protein 2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine-specific demethylase 1 (LSD1) | Lysine-specific histone demethylase 1 | Lysine-specific histone demethylase 1 (LSD1)
Type:
Enzyme
Mol. Mass.:
92901.01
Organism:
Homo sapiens (Human)
Description:
O60341
Residue:
852
Sequence:
MLSGKKAAAAAAAAAAAATGTEAGPGTAGGSENGSEVAAQPAGLSGPAEVGPGAVGERTPRKKEPPRASPPGGLAEPPGSAGPQAGPTVVPGSATPMETGIAETPEGRRTSRRKRAKVEYREMDESLANLSEDEYYSEEERNAKAEKEKKLPPPPPQAPPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM
Inhibitor
Name:
BDBM50545727
Synonyms:
CHEMBL4637906
Type:
Small organic molecule
Emp. Form.:
C21H32N2O
Mol. Mass.:
328.4916
SMILES:
[H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(CC)=C\c1ccccc1)NCCO |r,wU:4.4,9.9,wD:1.0,11.13,(70.57,-28.79,;70.57,-30.33,;70.57,-31.87,;69.24,-32.64,;67.91,-31.87,;67.91,-33.41,;67.91,-30.33,;69.24,-29.56,;66.58,-32.64,;65.24,-31.87,;64.47,-30.54,;63.7,-31.87,;62.37,-32.64,;62.37,-34.18,;63.7,-34.95,;61.03,-31.87,;59.7,-32.64,;58.36,-31.87,;57.04,-32.65,;57.04,-34.18,;58.37,-34.95,;59.7,-34.18,;71.91,-29.56,;73.24,-30.33,;74.57,-29.56,;75.91,-30.33,)|