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Ligand · 1BT

1BT · (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile

1BT, (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile (C23 H18 N8 S, 438.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
1BT
Formula
C23 H18 N8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1BT in 2 structures; the first of them:

  • 4I2Q · Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with… · 1BT A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, CYS181 and 11 more
  • 4I2Q · Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with… · 1BT A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, CYS181 and 11 more

Residues it binds most

LEU 2, TYR 2, LYS 2, PRO 2, VAL 2, ASN 2, CYS 2, GLU 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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