Ligand · O61

O61 · N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide

O61, N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide (C27 H24 Cl N7 O3 S, 562.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: O61
Formula: C27 H24 Cl N7 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

O61 in 2 structures; the first of them:

3SOS · Benzothiazi inhibitor in complex with FXIa · O61 A703 · binds ARG413, HIS414, LEU415, CYS416, HIS431, CYS432, TYR434, TYR521 and 18 more
3SOS · Benzothiazinone inhibitor in complex with fxia · O61 A703 · binds ARG413, HIS414, LEU415, CYS416, HIS431, CYS432, TYR434, TYR521 and 18 more

Residues it binds most

CYS 2, GLY 2, TYR 2, ASP 2, HIS 2, LEU 2, SER 2, ALA 2, ARG 2, ILE 2 (residue and the binding sites it lines).

Found with

CIT · Citric acid
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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