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Ligand · BV0

BV0 · 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11, 13-hexaene-5-carboxamide

BV0, 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11, 13-hexaene-5-carboxamide (C24 H25 N6 O3 +1, 445.5 g/mol), in the MolNFT…

Component
BV0
Formula
C24 H25 N6 O3 +1
Class
ligand
Structures
3
PDB entries
3

Binding sites

BV0 in 3 structures; the first of them:

  • 6JK6 · Crystal structure of human chitotriosidase-1 (hchit) catalytic domain in complex with… · BV0 A501 · binds TYR27, PHE58, TRP99, ASP138, GLU140, TYR141, GLN145, ALA183 and 5 more
  • 6JKF · Crystal structure of serratia marcescens chitinase B complexed with compound 2-8-S2 · BV0 A501 · binds PHE51, TRP97, GLU144, MET212, ASP215, TRP220, TYR292, GLY314 and 5 more
  • 6JMN · Crystal structure of ostrinia furnacalis chitinase H complexed with compound 2-8-S2 · BV0 A601 · binds TYR156, PHE184, TRP268, ASP306, GLU308, MET381, TYR383, ASP384 and 3 more

Residues it binds most

TYR 6, TRP 6, ASP 6, PHE 5, GLU 4, ARG 4, MET 4, ALA 2, GLY 2, GLN 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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