BioLiP

PDB

BioLiP

PDB CCD ID:

O0D

Number of entries in BioLiP:

Chemical formula:

C14 H11 Cl2 N O4

InChI:

InChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1

InChIKey:

SVGBNTOHFITEDI-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl
CACTVS 3.385	C[CH](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O
OpenEye OEToolkits 2.0.7	C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl
CACTVS 3.385	C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O
ACDLabs 12.01	Clc2c(Oc1ccc(cc1)OC(C)C(O)=O)ncc(c2)Cl

Name:

(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid

ZINC:

ZINC000000139487

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).