Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15

Summary for 5LGT

DescriptorLysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ... (4 entities in total)
Functional Keywordsoxidoreductase
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  O60341 Q9UKL0
Total number of polymer chains2
Total molecular weight102785.41
Mattevi, A.,Ciossani, G. (deposition date: 2016-07-08, release date: 2017-02-22, Last modification date: 2017-03-22)
Primary citation
Vianello, P.,Sartori, L.,Amigoni, F.,Cappa, A.,Faga, G.,Fattori, R.,Legnaghi, E.,Ciossani, G.,Mattevi, A.,Meroni, G.,Moretti, L.,Cecatiello, V.,Pasqualato, S.,Romussi, A.,Thaler, F.,Trifiro, P.,Villa, M.,Botrugno, O.A.,Dessanti, P.,Minucci, S.,Vultaggio, S.,Zagarri, E.,Varasi, M.,Mercurio, C.
Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60:1693-1715, 2017
PubMed: 28186757 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b01019
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.237111.3%10.6%0.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report