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BioLiP

PDB CCD ID: 231
Number of entries in BioLiP: 2
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
InChIKey: XHLKOHSAWQPOFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341[nH]1cnc(c1)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2c[nH]cn2
ACDLabs 10.04n2c(c1ccccc1)cnc2
Name:4-PHENYL-1H-IMIDAZOLE
ChEMBL: CHEMBL14145
DrugBank: DB03254
ZINC: ZINC000004692811
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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