Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1BXB

Summary
Name:Pritelivir
Synonyms:N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide
Formula:C18 H18 N4 O3 S2
Formal charge:0
Formula weight:402.491 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide
OpenEye OEToolkits3.1.0.0~{N}-methyl-~{N}-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)c1ccccn1
InChIInChI1.06InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
InChIKeyInChI1.06IVZKZONQVYTCKC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C(=O)Cc1ccc(cc1)c2ccccn2)c3sc(c(C)n3)[S](N)(=O)=O
SMILESCACTVS3.385CN(C(=O)Cc1ccc(cc1)c2ccccn2)c3sc(c(C)n3)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1c(sc(n1)N(C)C(=O)Cc2ccc(cc2)c3ccccn3)S(=O)(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1c(sc(n1)N(C)C(=O)Cc2ccc(cc2)c3ccccn3)S(=O)(=O)N

247947

PDB entries from 2026-01-21

PDB statisticsPDBj update infoContact PDBjnumon