BioLiP

PDB

BioLiP

PDB CCD ID:

ES8

Number of entries in BioLiP:

Chemical formula:

C15 H11 N O3

InChI:

InChI=1S/C15H11NO3/c17-14(18)9-19-16-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8H,9H2,(H,17,18)

InChIKey:

PLACMAVVPYGZGF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CO\N=C3/c1ccccc1c2c3cccc2
CACTVS 3.385	OC(=O)CON=C1c2ccccc2c3ccccc13
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O

Name:

[(9H-fluoren-9-ylideneamino)oxy]acetic acid

ZINC:

ZINC000006509238

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).