Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

0NB

Summary
Name:[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:C8 H9 B Cl N5 O4 S
Formal charge:0
Formula weight:317.517 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
OpenEye OEToolkits1.7.6[[3-chloranyl-4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methylboronic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c2cc(Cl)c(c1nnnn1)cc2)NCB(O)O
InChIInChI1.03InChI=1S/C8H9BClN5O4S/c10-7-3-5(20(18,19)11-4-9(16)17)1-2-6(7)8-12-14-15-13-8/h1-3,11,16-17H,4H2,(H,12,13,14,15)
InChIKeyInChI1.03PFJLILKXTJECEF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OB(O)CN[S](=O)(=O)c1ccc(c(Cl)c1)c2[nH]nnn2
SMILESCACTVS3.370OB(O)CN[S](=O)(=O)c1ccc(c(Cl)c1)c2[nH]nnn2
SMILES_CANONICALOpenEye OEToolkits1.7.6B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O
SMILESOpenEye OEToolkits1.7.6B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon