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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50262070
Substrate
n/a
Meas. Tech.
ChEMBL_1696558 (CHEMBL4047448)
Kd
98±n/a nM
Citation
 Mould, DP; Bremberg, U; Jordan, AM; Geitmann, M; McGonagle, AE; Somervaille, TCP; Spencer, GJ; Ogilvie, DJ Development and evaluation of 4-(pyrrolidin-3-yl)benzonitrile derivatives as inhibitors of lysine specific demethylase 1. Bioorg Med Chem Lett 27:4755-4759 (2017) [PubMed]  Article 
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:
BDBM50262070
Synonyms:
CHEMBL4092760
Type:
Small organic molecule
Emp. Form.:
C27H33N3O
Mol. Mass.:
415.5704
SMILES:
CNC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(cc1)C#N)c1ccc(C)cc1 |r,wU:6.9,14.17,wD:13.26,3.2,(42.42,-38.85,;41.1,-38.06,;41.12,-36.52,;39.8,-35.74,;39.81,-34.2,;38.49,-33.41,;37.15,-34.17,;37.13,-35.7,;38.45,-36.49,;35.83,-33.39,;34.48,-34.13,;35.85,-31.84,;37.11,-30.94,;36.65,-29.47,;35.1,-29.45,;34.62,-30.91,;34.22,-28.19,;34.85,-26.79,;33.97,-25.53,;32.43,-25.67,;31.78,-27.08,;32.68,-28.33,;31.55,-24.42,;30.65,-23.14,;37.58,-28.24,;36.96,-26.82,;37.88,-25.58,;39.41,-25.77,;40.35,-24.52,;40.03,-27.18,;39.11,-28.42,)|
Structure:
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