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BioLiP

PDB CCD ID: 5BL
Number of entries in BioLiP: 1
Chemical formula: C24 H16 N2 O2
InChI: InChI=1S/C24H16N2O2/c27-24(28)22-11-10-16-13-17(21-9-4-12-25-21)14-20(23(16)26-22)19-8-3-6-15-5-1-2-7-18(15)19/h1-14,25H,(H,27,28)
InChIKey: RSHSGQQZDAKAOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5
ACDLabs 12.01c1cc(nc1)c2cc(c3c(c2)ccc(n3)C(=O)O)c5cccc4c5cccc4
CACTVS 3.385OC(=O)c1ccc2cc(cc(c3cccc4ccccc34)c2n1)c5[nH]ccc5
Name:8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid
ZINC: ZINC000118076933
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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