GL1X · GenesisL1 explorer

Ligand · YQB

YQB · (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium

YQB, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium (C24 H25 N5 O3, 431.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
YQB
Formula
C24 H25 N5 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

YQB in 1 structure; the first of them:

  • 8V8U · PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound… · YQB A1101 · binds CYS901, CYS905, THR908, PHE909, ARG916, ILE921, HIS931, PHE954 and 14 more

Residues it binds most

PHE 2, CYS 2, ARG 2, ILE 2, THR 2, ALA 2, ASN 2, GLN 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • 1LT · (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide

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