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Ligand · 0MJ

0MJ · (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide

0MJ, (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide (C27 H29 N3 O4 S, 491.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
0MJ
Formula
C27 H29 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0MJ in 2 structures; the first of them:

  • 4GJC · Crystal structure of renin in complex with NVP-BCH965 (compound 9) · 0MJ A1001 · binds GLN13, VAL30, ASP32, GLY34, SER35, ARG74, TYR75, SER76 and 15 more
  • 4GJC · Crystal structure of renin in complex with nvp-BCH965 (compound 9) · 0MJ A1001 · binds GLN13, VAL30, ASP32, GLY34, SER35, ARG74, TYR75, SER76 and 15 more

Residues it binds most

ASP 4, ALA 4, GLY 4, LEU 4, PHE 4, PRO 4, SER 4, VAL 4, ARG 4, GLN 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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