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Ligand · YQD

YQD · N-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1, 2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide

YQD, N-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1, 2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide (C18 H16 Cl N5 O3 S, 417.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
YQD
Formula
C18 H16 Cl N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YQD in 2 structures; the first of them:

  • 7M3Z · Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazo… · YQD A201 · binds LEU47, ASP53, VAL54, TRP57, THR58, SER59, ARG60, TYR61 and 5 more
  • 7M3Z · Structure of tim-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6… · YQD A201 · binds LEU47, ASP53, VAL54, TRP57, THR58, SER59, ARG60, TYR61 and 4 more

Residues it binds most

ARG 2, LEU 2, TRP 2, ASP 2, PHE 2, SER 2, THR 2, TYR 2, VAL 2, ASN 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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