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BioLiP

PDB CCD ID: T0L
Number of entries in BioLiP: 1
Chemical formula: C16 H9 Cl N2 O2
InChI: InChI=1S/C16H9ClN2O2/c17-14-2-1-9(5-11(14)8-18)13-6-10(16(20)21)7-15-12(13)3-4-19-15/h1-7,19H,(H,20,21)
InChIKey: LOEVXPKFXLHBHC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)c(c3)C#N
OpenEye OEToolkits 2.0.7c1cc(c(cc1c2cc(cc3c2cc[nH]3)C(=O)O)C#N)Cl
Name:4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid
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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