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BioLiP

PDB CCD ID: 9HP
Number of entries in BioLiP: 1
Chemical formula: C18 H12 N2 O
InChI: InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H
InChIKey: IUSSGTWHFMSCOY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)c2cnc3ccc4ccncc4c3c2
ACDLabs 10.04n2cc(c1ccc(O)cc1)cc4c2ccc3ccncc34
OpenEye OEToolkits 1.5.0c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4
Name:9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE
ChEMBL: CHEMBL248643
DrugBank: DB03623
ZINC: ZINC000002047421
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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