SEQ2FUN

BioLiP

PDB CCD ID: NZR
Number of entries in BioLiP: 3
Chemical formula: C14 H13 N5 O2 S
InChI: InChI=1S/C14H13N5O2S/c1-9-5-7-10(8-6-9)11-3-2-4-12(22(15,20)21)13(11)14-16-18-19-17-14/h2-8H,1H3,(H2,15,20,21)(H,16,17,18,19)
InChIKey: JNVRWMYBFOXGPS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1ccc(cc1)c1cccc(c1c1n[NH]nn1)S(N)(=O)=O
CACTVS 3.385Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)S(=O)(=O)N
Name:(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
ChEMBL: CHEMBL5284444
ZINC: ZINC000584611629
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).