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BioLiP

PDB CCD ID: ZGG
Number of entries in BioLiP: 2
Chemical formula: C27 H27 N2 O
InChI: InChI=1S/C27H27N2O/c1-30-26-13-8-7-12-24(26)29-20-25(28-19-9-3-6-14-27(28)29)23-17-15-22(16-18-23)21-10-4-2-5-11-21/h2,4-5,7-8,10-13,15-18,20H,3,6,9,14,19H2,1H3/q+1
InChIKey: ZXQNQLPFZBEUMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1ccccc1n1cc([n+]2CCCCCc21)c1ccc(cc1)c1ccccc1
OpenEye OEToolkits 2.0.7COc1ccccc1n2cc([n+]3c2CCCCC3)c4ccc(cc4)c5ccccc5
CACTVS 3.385COc1ccccc1n2cc(c3ccc(cc3)c4ccccc4)[n+]5CCCCCc25
Name:8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene
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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