SEQ2FUN

BioLiP

PDB CCD ID: 8MZ
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N4 O S
InChI: InChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15)
InChIKey: GQXIAVAXNQYTNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1scc(n1)c2ccc3NC(=O)Nc3c2
OpenEye OEToolkits 2.0.6c1cc2c(cc1c3csc(n3)N)NC(=O)N2
Name:5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
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).