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BioLiP

PDB CCD ID: SZK
Number of entries in BioLiP: 2
Chemical formula: C14 H15 N3 O
InChI: InChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)
InChIKey: XVKUMXLSEKBYCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCn1c(NCc2occc2)nc3ccccc13
OpenEye OEToolkits 2.0.7CCn1c2ccccc2nc1NCc3ccco3
Name:(1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee;
1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine
ChEMBL: CHEMBL1893032
ZINC: ZINC000000513479
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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