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BioLiP

PDB CCD ID: 1BN
Number of entries in BioLiP: 5
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
InChIKey: KKKDZZRICRFGSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C(n1ccnc1)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)Cn2ccnc2
ACDLabs 10.04n1ccn(c1)Cc2ccccc2
Name:1-BENZYL-1H-IMIDAZOLE;
1-BENZYLIMIDAZOLE
ChEMBL: CHEMBL14192
DrugBank: DB04581
ZINC: ZINC000000169811
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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