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BioLiP

PDB CCD ID: II4
Number of entries in BioLiP: 2
Chemical formula: C14 H13 N3
InChI: InChI=1S/C14H13N3/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15)5-6-14(13)17/h2-9H,15H2,1H3
InChIKey: VFSVFGIODYZMOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1cccc(c1)n2cnc3c2ccc(c3)N
ACDLabs 10.04n2c1cc(ccc1n(c2)c3cc(ccc3)C)N
CACTVS 3.352Cc1cccc(c1)n2cnc3cc(N)ccc23
Name:1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE
DrugBank: DB07972
ZINC: ZINC000001431382
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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