SEQ2FUN

BioLiP

PDB CCD ID: S0D
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N4
InChI: InChI=1S/C11H10N4/c1-15-7-8(6-12-15)11-13-9-4-2-3-5-10(9)14-11/h2-7H,1H3,(H,13,14)
InChIKey: ILAJBGJRKOVOJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n3cc(c1nc2c(n1)cccc2)cn3C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		Cn1cc(cn1)c2[nH]c3ccccc3n2
Name:2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
ChEMBL: CHEMBL3233605
ZINC: ZINC000009337925
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).