SEQ2FUN

BioLiP

PDB CCD ID: V95
Number of entries in BioLiP: 3
Chemical formula: C16 H13 N3 O3
InChI: InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
InChIKey: OPXLLQIJSORQAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3
Name:methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate;
Mebendazole;
4030
ChEMBL: CHEMBL685
DrugBank: DB00643
ZINC: ZINC000000121541
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).