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BioLiP

PDB CCD ID: 5BJ
Number of entries in BioLiP: 1
Chemical formula: C19 H13 N O2
InChI: InChI=1S/C19H13NO2/c21-19(22)18-11-16-15(9-4-10-17(16)20-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,20H,(H,21,22)
InChIKey: QVAVQSOUZBBMKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c14c(cccc1c3cccc2ccccc23)nc(C(O)=O)c4
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O
CACTVS 3.385OC(=O)c1[nH]c2cccc(c2c1)c3cccc4ccccc34
Name:4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid
ZINC: ZINC000263620956
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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