SEQ2FUN

BioLiP

PDB CCD ID: T6R
Number of entries in BioLiP: 3
Chemical formula: C9 H10 N2
InChI: InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3
InChIKey: WVNMLOGVAVGQIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCn1cnc2c1cccc2
ACDLabs 12.01CCn1cnc2ccccc21
CACTVS 3.385CCn1cnc2ccccc12
Name:1-ethyl-1H-benzimidazole
ZINC: ZINC000001473033
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).