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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50262068
Substrate
n/a
Meas. Tech.
ChEMBL_1696558 (CHEMBL4047448)
Kd
770±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:
BDBM50262068
Synonyms:
CHEMBL4074738
Type:
Small organic molecule
Emp. Form.:
C26H29N5O
Mol. Mass.:
427.5414
SMILES:
Cn1ncc2cc(ccc12)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@@H]1CC[C@H](N)CC1 |r,wU:14.17,wD:10.11,25.28,28.32,(40.71,-22.41,;40.86,-23.94,;42.18,-24.72,;41.85,-26.23,;40.31,-26.37,;39.39,-27.61,;37.86,-27.42,;37.25,-26.01,;38.16,-24.78,;39.7,-24.96,;36.93,-28.65,;37.39,-30.12,;36.14,-31.02,;34.91,-30.09,;35.39,-28.63,;34.51,-27.38,;35.14,-25.98,;34.26,-24.72,;32.73,-24.87,;32.08,-26.26,;32.97,-27.52,;31.84,-23.61,;30.95,-22.34,;36.12,-32.56,;34.77,-33.31,;37.44,-33.34,;38.77,-32.58,;40.09,-33.37,;40.08,-34.91,;41.39,-35.69,;38.73,-35.66,;37.42,-34.88,)|
Structure:
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