BioLiP

PDB

BioLiP

PDB CCD ID:

FTV

Number of entries in BioLiP:

Chemical formula:

C9 H8 Cl2 O3

InChI:

InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1

InChIKey:

MZHCENGPTKEIGP-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C(=O)O)Oc1ccc(cc1Cl)Cl
CACTVS 3.385	C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O
OpenEye OEToolkits 2.0.6	C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl
ACDLabs 12.01	Clc1c(ccc(c1)Cl)OC(C)C(O)=O
CACTVS 3.385	C[CH](Oc1ccc(Cl)cc1Cl)C(O)=O

Name:

(2R)-2-(2,4-dichlorophenoxy)propanoic acid

ChEMBL:

CHEMBL2252703

ZINC:

ZINC000000056614

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).