SEQ2FUN

BioLiP

PDB CCD ID: 7U6
Number of entries in BioLiP: 2
Chemical formula: C13 H15 N5 O2
InChI: InChI=1S/C13H15N5O2/c14-11(19)8-2-1-3-9-10(8)17-12(16-9)13(20)18-6-4-15-5-7-18/h1-3,15H,4-7H2,(H2,14,19)(H,16,17)
InChIKey: HTXIMVGBKIQCLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O)N
CACTVS 3.385NC(=O)c1cccc2[nH]c(nc12)C(=O)N3CCNCC3
Name:2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide
ChEMBL: CHEMBL4076155
ZINC: ZINC000584905383
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).