Ligand · YDE

YDE · [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{4-[(propan-2-yl)oxy]-7-(trifluoromethyl)quinolin-2-yl}methanone

YDE, [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{4-[(propan-2-yl)oxy]-7-(trifluoromethyl)quinolin-2-yl}methanone (C29 H27 F3 N6 O3, 564.6 g/mol), in the MolNFT structures on…

Component: YDE
Formula: C29 H27 F3 N6 O3
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

YDE in 1 structure; the first of them:

7G4Y · Crystal Structure of rat Autotaxin in complex with… · YDE A901 · binds ILE167, SER169, ASP171, THR209, PHE210, LEU213, TYR214, LEU216 and 13 more

Residues it binds most

PHE 1, LEU 1, TRP 1, ASP 1, HIS 1, TYR 1, ALA 1, ASN 1, ILE 1, SER 1 (residue and the binding sites it lines).

Found with

CA · Calcium ion
K · Potassium ion
NA · Sodium ion
ZN · Zinc ion
BMA · beta-D-mannopyranose
MAN · alpha-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
CL · Chloride ion
ACT · Acetate ion

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