BioLiP

PDB

BioLiP

PDB CCD ID:

D1L

Number of entries in BioLiP:

Chemical formula:

C15 H12 Cl2 O4

InChI:

InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1

InChIKey:

OOLBCHYXZDXLDS-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
CACTVS 3.341	C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O
OpenEye OEToolkits 1.5.0	CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
CACTVS 3.341	C[CH](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O
ACDLabs 10.04	Clc2cc(Cl)ccc2Oc1ccc(OC(C(=O)O)C)cc1

Name:

2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID

DrugBank:

DB03781

ZINC:

ZINC000005211621

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).