BioLiP

PDB

BioLiP

PDB CCD ID:

O7Z

Number of entries in BioLiP:

Chemical formula:

C17 H18 Cl2 O4

InChI:

InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)

InChIKey:

RNOJGTHBMJBOSP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
OpenEye OEToolkits 2.0.7	CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3

Name:

2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid;
indanyloxyacetic acid-94;
IAA-94

ChEMBL:

CHEMBL79956

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).