Ligand · 398

398 · N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide

398, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide (C40 H41 Cl I N5 O5 S, 866.2 g/mol), in the MolNFT structures on GenesisL1…

Component: 398
Formula: C40 H41 Cl I N5 O5 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

398 in 2 structures; the first of them:

4AQ3 · Human BCL-2 with phenylacylsulfonamide inhibitor · 398 A1163 · binds ALA59, ASP62, PHE63, ARG66, TYR67, ASP70, PHE71, MET74 and 17 more
4AQ3 · Human BCL-2 with phenylacylsulfonamide inhibitor · 398 A1163 · binds ALA59, ASP62, PHE63, ARG66, TYR67, ASP70, PHE71, MET74 and 17 more

Residues it binds most

PHE 12, TYR 12, LEU 12, ALA 12, ARG 12, ASP 12, VAL 12, GLY 12, GLU 12, MET 12 (residue and the binding sites it lines).

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