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BioLiP

PDB CCD ID: 5MB
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2
InChI: InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKey: RWXZXCZBMQPOBF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1ccc2nc[nH]c2c1
OpenEye OEToolkits 1.5.0Cc1ccc2c(c1)[nH]cn2
ACDLabs 10.04n2c1ccc(cc1nc2)C
Name:5-METHYLBENZIMIDAZOLE
ChEMBL: CHEMBL157729
DrugBank: DB03177
ZINC: ZINC000005988533
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)(download the PDF file).
  • 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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