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BioLiP

PDB CCD ID: 205
Number of entries in BioLiP: 2
Chemical formula: C14 H7 Cl2 N O3
InChI: InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)
InChIKey: XVNRKPCHMYOPPL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc2nc(oc2c1)c3c(Cl)cccc3Cl
ACDLabs 10.04Clc3cccc(Cl)c3c1nc2ccc(cc2o1)C(=O)O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl
Name:2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID
ChEMBL: CHEMBL1229789
DrugBank: DB06907
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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