Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T16739 | Target Info | |||
| Target Name | Lysine-specific histone demethylase 1 (LSD) | ||||
| Synonyms | Lysine-specific histone demethylase 1A; LSD1; KIAA0601; KDM1; Flavin-containing amine oxidase domain-containing protein 2; BRAF35-HDAC complex protein BHC110; AOF2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KDM1A | ||||
| Biochemical Class | CH-NH(2) donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3-(4-Bromophenyl)propanamide | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CCC(=O)N)Br | ||||
| InChI | 1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12) | ||||
| InChIKey | MSYVIHNLCVUBFM-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 12273139 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2XAG Crystal structure of LSD1-CoREST in complex with para-bromo-(-)-trans- 2-phenylcyclopropyl-1-amine | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [1] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
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| PDB ID: 2XAF Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine | ||||||
| Method | X-ray diffraction | Resolution | 3.25 Å | Mutation | No | [1] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Biochemical, structural, and biological evaluation of tranylcypromine derivatives as inhibitors of histone demethylases LSD1 and LSD2. J Am Chem Soc. 2010 May 19;132(19):6827-33. | ||||
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