BioLiP

PDB

BioLiP

PDB CCD ID:

JHY

Number of entries in BioLiP:

Chemical formula:

C10 H7 Cl2 N O4

InChI:

InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15)

InChIKey:

MIGAKMWKMLYGJX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O
CACTVS 3.385	OC(=O)CCN1C(=O)Oc2cc(Cl)c(Cl)cc12

Name:

3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID

ChEMBL:

CHEMBL4092205

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).