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BioLiP

PDB CCD ID: 1M2
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N3
InChI: InChI=1S/C8H9N3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,9,10,11)
InChIKey: ALBBQFWHUCTZFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1ccccc1nc2NC
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CNc1[nH]c2ccccc2n1
Name:N-methyl-1H-benzimidazol-2-amine
ZINC: ZINC000000039693
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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