Ligand · 47V

47V · 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide

47V, 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide (C12 H12 N2 O2, 216.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component: 47V
Formula: C12 H12 N2 O2
Class: ligand
Structures: 5
PDB entries: 3

Binding sites

47V in 5 structures; the first of them:

4Y5C · Endothiapepsin in complex with fragment 267 · 47V A405 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 4 more
5MB0 · Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin · 47V A339 · binds ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119, LEU125 and 2 more
5N1L · cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like… · 47V A401 · binds GLY50, THR51, VAL57, ALA70, LYS72, MET120, GLU121, TYR122 and 5 more
5MB0 · Cocktail experiment a: fragments 63, 267, and 291 in complex with endothiapepsin · 47V A339 · binds ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119, LEU125 and 2 more
5N1L · Camp-dependent protein kinase a from cricetulus griseus in complex with fragment like… · 47V A401 · binds GLY50, THR51, VAL57, ALA70, LYS72, MET120, GLU121, TYR122 and 5 more

Residues it binds most

ASP 5, THR 5, SER 3, GLY 5, LEU 5, PHE 5, TYR 5, VAL 2, ALA 2, GLU 2 (residue and the binding sites it lines).

Found with

DMS · Dimethyl sulfoxide
GOL · Glycerol
F63 · N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine
F91 · N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
MPD · (4S)-2-methyl-2,4-pentanediol
ACT · Acetate ion

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