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Ligand · A1AKN

A1AKN · N-(N-{(E)-[(4S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl][4-(trifluoromethyl)benzene-1-sulfonamido]methylidene}carbamimidoyl)acetamide

A1AKN, N-(N-{(E)-[(4S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl][4-(trifluoromethyl)benzene-1-sulfonamido]methylidene}carbamimidoyl)acetamide (C26 H22 Cl F3 N6 O3 S, 591.0 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
A1AKN
Formula
C26 H22 Cl F3 N6 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1AKN in 1 structure; the first of them:

  • 9BA0 · Structural mechanism of CB1R binding to peripheral and biased inverse agonists · A1AKN R601 · binds PHE102, MET103, ASP104, ILE119, SER123, GLY166, PHE170, PHE174 and 9 more

Residues it binds most

PHE 1, MET 1, SER 1, ALA 1, ASP 1, CYS 1, GLY 1, ILE 1, LEU 1, VAL 1 (residue and the binding sites it lines).

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