BioLiP

PDB

BioLiP

PDB CCD ID:

3MI

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl
CACTVS 3.370	OC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
ACDLabs 12.01	O=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, Lydia 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).