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BioLiP

PDB CCD ID: IEX
Number of entries in BioLiP: 4
Chemical formula: C26 H22 N4
InChI: InChI=1S/C26H22N4/c1-19-22(28-24-15-9-8-14-23(24)27-19)16-17-26-29-25(20-10-4-2-5-11-20)18-30(26)21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3
InChIKey: SFTYFZCRCKRNOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(nc2ccccc2n1)CCc3nc(cn3c4ccccc4)c5ccccc5
ACDLabs 12.01Cc1nc2ccccc2nc1CCc1nc(cn1c1ccccc1)c1ccccc1
CACTVS 3.385Cc1nc2ccccc2nc1CCc3nc(cn3c4ccccc4)c5ccccc5
Name:2-[2-(1,4-diphenyl-1H-imidazol-2-yl)ethyl]-3-methylquinoxaline
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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