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BioLiP

PDB CCD ID: P5Z
Number of entries in BioLiP: 1
Chemical formula: C17 H11 Cl2 N O3
InChI: InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22)
InChIKey: ABPWAZGWFVYLDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O
ACDLabs 12.01Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O
OpenEye OEToolkits 2.0.7Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O
Name:6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-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).
  • 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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