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BioLiP Library

PDB CCD ID: ZGJ
Number of entries in BioLiP: 2
Chemical formula: C26 H26 N3 O
InChI: InChI=1S/C26H25N3O/c1-30-25-12-6-5-11-23(25)24-19-29(26-27-17-7-8-18-28(24)26)22-15-13-21(14-16-22)20-9-3-2-4-10-20/h2-6,9-16,19H,7-8,17-18H2,1H3/p+1
InChIKey: HGDBKVRVNGXGJR-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccccc1c2c[n+](c3NCCCCn23)c4ccc(cc4)c5ccccc5
ACDLabs 12.01COc1ccccc1c1c[n+](c2NCCCCn21)c1ccc(cc1)c1ccccc1
OpenEye OEToolkits 2.0.7COc1ccccc1c2c[n+](c3n2CCCCN3)c4ccc(cc4)c5ccccc5
Name:3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine
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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