SEQ2FUN

BioLiP

PDB CCD ID: IDZ
Number of entries in BioLiP: 1
Chemical formula: C14 H10 N4
InChI: InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
InChIKey: JTKFRFMSUBOCIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c(c1ccccc1n2)c3nc4ccccc4n3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3
CACTVS 3.341[nH]1nc(c2[nH]c3ccccc3n2)c4ccccc14
Name:3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE
ChEMBL: CHEMBL383990
DrugBank: DB07959
ZINC: ZINC000014961821
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).