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Ligand · 3N7

3N7 · N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-1H-indazol-5-yl-6-methylpyrimidine-2,4-diamine

3N7, N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-1H-indazol-5-yl-6-methylpyrimidine-2,4-diamine (C18 H18 N8, 346.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
3N7
Formula
C18 H18 N8
Class
ligand
Structures
2
PDB entries
1

Binding sites

3N7 in 2 structures; the first of them:

  • 3N7S · Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals… · 3N7 B1 · binds THR43, ALA44, GLU47, CYS48, LYS51, CYS74, TRP75, ASN76 and 3 more
  • 3N7S · Crystal structure of the ectodomain complex of the cgrp receptor, a class-B GPCR, reveals… · 3N7 B1 · binds THR43, ALA44, GLU47, CYS48, LYS51, CYS74, TRP75, ASN76 and 3 more

Residues it binds most

CYS 2, ALA 2, ASN 2, GLN 2, GLU 2, LYS 2, MET 2, SER 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • 3N6 · N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl) carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide
  • SO4 · Sulfate ion

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