Ligand · NMW

NMW · [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

NMW, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone (C23 H22 N2 O5, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with…

Component: NMW
Formula: C23 H22 N2 O5
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

NMW in 1 structure; the first of them:

6TMQ · Rapid optimisation of fragments and hits to lead compounds from screening of crude… · NMW AAA402 · binds LEU244, ASN247, ALA248, ARG250, ALA251, GLU254, SER255, ASP282 and 8 more

Residues it binds most

LEU 1, ALA 1, GLY 1, ARG 1, ASN 1, ASP 1, GLU 1, SER 1, THR 1, VAL 1 (residue and the binding sites it lines).

Found with

TF3 · N-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl) oxy]phenyl} acetamide
DMS · Dimethyl sulfoxide

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