Ligand · I0S

I0S · (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide

I0S, (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide (C23 H25 N3 O4 S2, 471.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with…

Component: I0S
Formula: C23 H25 N3 O4 S2
Class: ligand
Structures: 4
PDB entries: 4

Binding sites

I0S in 4 structures; the first of them:

7TCI · Structure of Xenopus KCNQ1-CaM in complex with ML277 · I0S A701 · binds ILE258, LEU261, GLY262, PHE265, VAL324, PHE325, SER328, PHE329 and 8 more
7XNK · human KCNQ1-CaM in complex with ML277 · I0S A705 · binds ILE268, LEU271, GLY272, PHE275, VAL334, PHE335, ALA336, PHE339 and 10 more
7XNL · human KCNQ1-CaM-ML277-PIP2 complex in state A · I0S A705 · binds ILE268, LEU271, GLY272, PHE275, PHE332, VAL334, PHE335, ALA336 and 11 more
7XNN · human KCNQ1-CaM-ML277-PIP2 complex in state B · I0S B704 · binds ILE268, LEU271, GLY272, PHE275, PHE332, VAL334, PHE335, ALA336 and 10 more

Residues it binds most

PHE 16, LEU 16, VAL 16, GLY 16, ILE 16, PRO 16, THR 16, TRP 16, ALA 12, SER 4 (residue and the binding sites it lines).

Found with

K · Potassium ion
PIO · [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2, 3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
CA · Calcium ion

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