SEQ2FUN

BioLiP

PDB CCD ID: 3VS
Number of entries in BioLiP: 4
Chemical formula: C10 H9 N3 O
InChI: InChI=1S/C10H9N3O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H,(H2,11,14)
InChIKey: VEKNMVRNEBNHNU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc(cc1)n2ccnc2
OpenEye OEToolkits 1.9.2c1cc(ccc1C(=O)N)n2ccnc2
ACDLabs 12.01O=C(c1ccc(cc1)n2ccnc2)N
Name:4-(1H-imidazol-1-yl)benzamide
ChEMBL: CHEMBL3581507
ZINC: ZINC000000405312
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).