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BioLiP

PDB CCD ID: 3MI
Number of entries in BioLiP: 13
Chemical formula: C14 H7 Cl2 N O3
InChI: InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
InChIKey: TXEIIPDJKFWEEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl
CACTVS 3.370OC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
ACDLabs 12.01O=C(O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
Name:2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid;
Tafamidis
ChEMBL: CHEMBL2103837
DrugBank: DB11644
ZINC: ZINC000043206271
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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