SEQ2FUN

BioLiP

PDB CCD ID: WZD
Number of entries in BioLiP: 4
Chemical formula: C12 H11 N3 O
InChI: InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
InChIKey: VVXTVMPZTWGDLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[nH]c(n2)NCc3ccco3
CACTVS 3.385C(Nc1[nH]c2ccccc2n1)c3occc3
ACDLabs 12.01c1cccc2c1nc(n2)NCc3ccco3
Name:N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine
ChEMBL: CHEMBL5191268
ZINC: ZINC000000513005
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).