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Ligand · YHB

YHB · N-(2-{4-[(6M)-3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}pyridine-4-carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide

YHB, N-(2-{4-[(6M)-3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}pyridine-4-carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide (C43 H50 N10 O5 S, 819.0 g/mol), in the…

Component
YHB
Formula
C43 H50 N10 O5 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

YHB in 1 structure; the first of them:

  • 8G1Q · Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and… · YHB C301 · binds GLU1483, VAL1484, PHE1485, GLN1487, LEU1488, PRO1489, GLU1493, LEU1494 and 22 more

Residues it binds most

ASN 1, PHE 1, PRO 1, TYR 1, ARG 1, GLU 1, HIS 1, ILE 1, LEU 1, TRP 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • PEG · Di(hydroxyethyl)ether

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