SEQ2FUN

BioLiP

PDB CCD ID: Y8B
Number of entries in BioLiP: 1
Chemical formula: C23 H23 N3 O2 S
InChI: InChI=1S/C23H23N3O2S/c1-16-11-17(2)23(18(3)12-16)29(27,28)25-20-9-10-22-21(13-20)24-15-26(22)14-19-7-5-4-6-8-19/h4-13,15,25H,14H2,1-3H3
InChIKey: NZGPNMYYBHSCBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)cnc3c2
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C)S(=O)(=O)Nc2ccc3c(c2)ncn3Cc4ccccc4)C
Name:2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide
ChEMBL: CHEMBL464497
ZINC: ZINC000040867190
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).