Ligand · A1A6I

A1A6I · (2S)-{5-fluoro-2-[(6S)-5-oxaspiro[2.5]octan-6-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid

A1A6I, (2S)-{5-fluoro-2-[(6S)-5-oxaspiro[2.5]octan-6-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid (C31 H40 F N3 O4, 537.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record…

Component: A1A6I
Formula: C31 H40 F N3 O4
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1A6I in 1 structure; the first of them:

9CZF · Crystal structure of integrin avb6 headpiece in complex with compound MORF-627 · A1A6I B2004 · binds ASP150, PHE177, TYR178, GLN180, THR212, ALA215, ASP218, SER125 and 13 more

Residues it binds most

ALA 1, ASP 1, SER 1, GLU 1, ILE 1, THR 1, ASN 1, CYS 1, GLN 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
CL · Chloride ion
ACT · Acetate ion
GOL · Glycerol

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