BioLiP

PDB

BioLiP

PDB CCD ID:

5JW

Number of entries in BioLiP:

Chemical formula:

C15 H9 Cl2 N O3

InChI:

InChI=1S/C15H9Cl2NO3/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)18-21-7-14(19)20/h1-6H,7H2,(H,19,20)

InChIKey:

BZMUZKQLRPSKDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CON=C1c2cc(Cl)ccc2c3ccc(Cl)cc13
ACDLabs 12.01	Clc2ccc3c1ccc(cc1C(\c3c2)=N/OCC(O)=O)Cl
OpenEye OEToolkits 1.9.2	c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl

Name:

{[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid

ZINC:

ZINC000584904768

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).