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Literature summary for 2.1.1.1 extracted from

  • Policarpo, R.L.; Decultot, L.; May, E.; Kuzmic, P.; Carlson, S.; Huang, D.; Chu, V.; Wright, B.A.; Dhakshinamoorthy, S.; Kannt, A.; Rani, S.; Dittakavi, S.; Panarese, J.D.; Gaudet, R.; Shair, M.D.
    High-affinity alkynyl bisubstrate inhibitors of nicotinamide N-methyltransferase (NNMT) (2019), J. Med. Chem., 62, 9837-9873 .
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitor (2S,5S)-2-amino-5-(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-7-(3-carbamoylphenyl)hept-6-ynoic acid. The alkynyl linker is able to span the methyl transfer tunnel of NNMT with ideal shape complementarity Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
5-[[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-7-(3-carbamoylphenyl)hept-6-ynoic acid log Ki value 4.65 Homo sapiens
9-(9-amino-5,6,7,8,9-pentadeoxy-6-ethynyl-beta-D-ribo-decofuranuronosyl)-9H-purin-6-amine log Ki value 4.32 Homo sapiens
9-[9-amino-6-[(2-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-beta-D-ribo-decofuranuronosyl]-9H-purin-6-amine log Ki value 4.71 Homo sapiens
9-[9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-beta-D-ribo-decofuranuronosyl]-9H-purin-6-amine high-affinity, subnanomolar NNMT inhibitor Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P40261
-
-

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000005
-
9-[9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-beta-D-ribo-decofuranuronosyl]-9H-purin-6-amine pH not specified in the publication, temperature not specified in the publication Homo sapiens