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Ligand · 1I8

1I8 · (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2, 4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

1I8, (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2, 4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (C33 H41 Cl N6 O2, 589.2 g/mol), in the MolNFT structures on…

Component
1I8
Formula
C33 H41 Cl N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1I8 in 2 structures; the first of them:

  • 7F58 · Cryo-EM structure of THIQ-MC4R-Gs_Nb35 complex · 1I8 R601 · binds PHE45, PHE51, ASN97, GLU100, THR101, ILE104, ASP126, ILE129 and 15 more
  • 7F58 · Cryo-EM structure of thiq-MC4R-GS_NB35 complex · 1I8 R601 · binds PHE45, ASN97, GLU100, THR101, ILE104, ASP126, ILE129, CYS130 and 12 more

Residues it binds most

PHE 2, LEU 2, ILE 2, ASN 2, ASP 2, CYS 2, GLU 2, HIS 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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