Ligand · A1A6H

A1A6H · (2S)-{5-fluoro-2-[(2S)-oxan-2-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid

A1A6H, (2S)-{5-fluoro-2-[(2S)-oxan-2-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid (C29 H38 F N3 O4, 511.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component: A1A6H
Formula: C29 H38 F N3 O4
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1A6H in 1 structure; the first of them:

9CZD · Crystal structure of integrin avb6 headpiece in complex with compound 30 · A1A6H B2101 · binds ASP150, PHE177, TYR178, GLN180, THR212, ALA213, ALA215, ASP218 and 14 more

Residues it binds most

ALA 1, SER 1, ASP 1, ILE 1, THR 1, ASN 1, CYS 1, GLN 1, GLU 1, PHE 1 (residue and the binding sites it lines).

Found with

CA · Calcium ion
MG · Magnesium ion
BMA · beta-D-mannopyranose
MAN · alpha-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
ACT · Acetate ion
GOL · Glycerol

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