BioLiP

PDB

BioLiP

PDB CCD ID:

H32

Number of entries in BioLiP:

Chemical formula:

C15 H10 F N O4

InChI:

InChI=1S/C15H10FNO4/c16-11-6-9(4-5-12(11)18)17-7-8-2-1-3-10(15(20)21)13(8)14(17)19/h1-6,18H,7H2,(H,20,21)

InChIKey:

KXNOWKVHICTJLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cccc2CN(C(=O)c12)c3ccc(O)c(F)c3
OpenEye OEToolkits 2.0.5	c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O

Name:

2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid

ZINC:

ZINC000584905607

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).