Ligand · XIH
XIH · 2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
XIH, 2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile (C20 H23 N7 O2, 393.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…
- Component
- XIH
- Formula
- C20 H23 N7 O2
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
XIH in 4 structures; the first of them:
- 2GBI · rat DPP-IV with xanthine inhibitor 4 · XIH A901 · binds ARG123, GLU203, GLU204, VAL547, TYR548, TRP630, SER631, TYR632 and 8 more
- 3G0D · Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 · XIH A800 · binds ARG125, GLU205, GLU206, PHE357, TYR547, TRP629, SER630, TYR631 and 8 more
- 2GBI · Rat dpp-IV with xanthine inhibitor 4 · XIH A901 · binds ARG123, GLU203, GLU204, VAL547, TYR548, TRP630, SER631, TYR632 and 8 more
- 3G0D · Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 · XIH A800 · binds ARG125, GLU205, GLU206, PHE357, TYR547, TRP629, SER630, TYR631 and 8 more
Residues it binds most
TYR 10, VAL 10, GLU 10, TRP 10, ARG 10, ASN 10, GLY 10, HIS 10, SER 10, PHE 8 (residue and the binding sites it lines).
Found with
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
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