Ligand · G5U

G5U · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl) propanamide

G5U, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl) propanamide (C27 H42 N6 O3, 498.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component: G5U
Formula: C27 H42 N6 O3
Class: ligand
Structures: 4
PDB entries: 2

Binding sites

G5U in 4 structures; the first of them:

7T7L · Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1) · G5U A1506 · binds TYR1067, ASP1074, ALA1077, ASP1078, VAL1079, ARG1080, ASP1083, SER1084 and 12 more
7T7M · Structure of human GLP SET-domain (EHMT1) in complex with covalent inhibitor (Compound 1) · G5U D1305 · binds TYR1155, ASP1162, ALA1165, ASP1166, VAL1167, ARG1168, ASP1171, SER1172 and 14 more
7T7L · Structure of human G9A set-domain (EHMT2) in complex with covalent inhibitor (compound 1) · G5U A1506 · binds TYR1067, ASP1074, ALA1077, ASP1078, ARG1080, ASP1083, SER1084, LEU1086 and 9 more
7T7M · Structure of human glp set-domain (EHMT1) in complex with covalent inhibitor (compound 1) · G5U D1305 · binds TYR1155, ASP1162, ALA1165, ASP1166, ARG1168, ASP1171, SER1172, LEU1174 and 9 more

Residues it binds most

ASP 8, TYR 8, PHE 8, ARG 8, ALA 8, CYS 8, ILE 8, LEU 8, LYS 8, SER 8 (residue and the binding sites it lines).

Found with

G4R · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide
ZN · Zinc ion
SAM · S-adenosylmethionine

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