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

A1D5L

Summary
Name:Zibotentan
Formula:C19 H16 N6 O4 S
Formal charge:0
Formula weight:424.433 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(3-methoxy-5-methyl-pyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
InChIKeyInChI1.06FJHHZXWJVIEFGJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1nc(C)cnc1N[S](=O)(=O)c2cccnc2c3ccc(cc3)c4ocnn4
SMILESCACTVS3.385COc1nc(C)cnc1N[S](=O)(=O)c2cccnc2c3ccc(cc3)c4ocnn4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cnc(c(n1)OC)NS(=O)(=O)c2cccnc2c3ccc(cc3)c4nnco4
SMILESOpenEye OEToolkits2.0.7Cc1cnc(c(n1)OC)NS(=O)(=O)c2cccnc2c3ccc(cc3)c4nnco4

247947

PDB entries from 2026-01-21

PDB statisticsPDBj update infoContact PDBjnumon