Ligand · A1AIT
A1AIT · (7P)-7-[(4S)-4-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}-5-(2,2-difluoropropyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-1,3-benzoxazol-2(3H)-one
A1AIT, (7P)-7-[(4S)-4-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}-5-(2,2-difluoropropyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-1,3-benzoxazol-2(3H)-one (C29 H18 F8 N4 O4, 638.5 g/mol), in the MolNFT structures on GenesisL1…
- Component
- A1AIT
- Formula
- C29 H18 F8 N4 O4
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
A1AIT in 1 structure; the first of them:
- 9B4G · Structure of inhibitor-bound human PSS1 · A1AIT A507 · binds TRP70, ILE73, ILE77, LEU110, TYR111, PHE114, LEU115, LEU118 and 11 more
Residues it binds most
LEU 2, ILE 2, PHE 2, ARG 2, ASP 2, GLN 2, HIS 2, MET 2, SER 2, TRP 2 (residue and the binding sites it lines).
Found with
- 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
- A1AIS · (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate
- LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
- P5S · O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy) propyl]oxy}(hydroxy)phosphoryl]-L-serine
- CA · Calcium ion
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