SEQ2FUN

BioLiP

PDB CCD ID: L0F
Number of entries in BioLiP: 2
Chemical formula: C17 H13 N5 O
InChI: InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
InChIKey: FPKSFXFWECAIBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C(Nc1c[nH]nc1c2[nH]c3ccccc3n2)c4ccccc4
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3
ACDLabs 10.04O=C(Nc1c(nnc1)c2nc3ccccc3n2)c4ccccc4
Name:N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
ChEMBL: CHEMBL522891
DrugBank: DB08066
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).