Ligand · OTL

OTL · 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl) phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine

OTL, 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl) phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine (C24 H21 Cl F N9 O, 505.9 g/mol), in the MolNFT structures on GenesisL1: bound…

Component: OTL
Formula: C24 H21 Cl F N9 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

OTL in 2 structures; the first of them:

7V17 · Factor XIa in Complex with Compound 2k · OTL A702 · binds ARG413, HIS414, LEU415, CYS416, HIS431, CYS432, TYR521, LEU524 and 17 more
7V17 · Factor xia in complex with compound 2K · OTL A702 · binds HIS414, LEU415, CYS416, HIS431, TYR521, ILE528, ASP569, ALA570 and 14 more

Residues it binds most

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

Found with

CIT · Citric acid

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