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Ligand · 0EI

0EI · 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide

0EI, 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide (C36 H37 F N8 O S, 648.8 g/mol), in the MolNFT structures on…

Component
0EI
Formula
C36 H37 F N8 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

0EI in 1 structure; the first of them:

  • 7ORE · Crystal structure of JNK3 in complex with light-activated covalent inhibitor mr-II-249… · 0EI A501 · binds ILE70, VAL78, ALA91, LYS93, ILE124, LEU126, LEU144, VAL145 and 9 more

Residues it binds most

LEU 2, ILE 2, MET 2, VAL 2, ALA 2, ASN 2, ASP 2, GLN 2, GLU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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