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BioLiP

PDB CCD ID: DPT
Number of entries in BioLiP: 0
Chemical formula: C14 H12 N2
InChI: InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
InChIKey: JIVLDFFWTQYGSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccnc2c1ccc3c2nccc3C
CACTVS 3.341Cc1ccnc2c1ccc3c(C)ccnc23
ACDLabs 10.04n1c3c(c(cc1)C)ccc2c(ccnc23)C
Name:4,7-DIMETHYL-[1,10]PHENANTHROLINE
ChEMBL: CHEMBL593442
DrugBank: DB02586
ZINC: ZINC000000120461
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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