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Ligand · 81G

81G · (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one

81G, (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one (C21 H21 F N4 O2 S, 412.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
81G
Formula
C21 H21 F N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

81G in 2 structures; the first of them:

  • 5U7R · Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative… · 81G A500 · binds ILE98, ARG100, GLY101, VAL106, ALA119, LYS121, GLU140, VAL153 and 12 more
  • 5U7R · Identification of a new class of potent CDC7 inhibitors designed by putative… · 81G A500 · binds ILE98, ARG100, GLY101, VAL106, ALA119, LYS121, GLU140, VAL153 and 9 more

Residues it binds most

ASP 8, VAL 8, GLU 8, MET 8, ALA 8, ARG 8, GLY 8, ILE 8, LEU 8, LYS 8 (residue and the binding sites it lines).

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