Ligand · YOS

YOS · [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid

YOS, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid (C27 H30 F N3 O3, 463.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: YOS
Formula: C27 H30 F N3 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

YOS in 2 structures; the first of them:

7M2F · CDK2 with compound 14 inhibitor with carboxylate · YOS A901 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 9 more
7M2F · CDK2 with compound 14 inhibitor with carboxylate · YOS A901 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 9 more

Residues it binds most

ALA 2, ASP 2, LEU 2, LYS 2, PHE 2, VAL 2, ASN 2, GLN 2, GLU 2, HIS 2 (residue and the binding sites it lines).

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