BioLiP

PDB

BioLiP

PDB CCD ID:

6BD

Number of entries in BioLiP:

Chemical formula:

C17 H15 N O3

InChI:

InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1

InChIKey:

ZHFDVDMCVXUGGF-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(CON=C1c2ccccc2-c3c1cccc3)C(=O)O
ACDLabs 10.04	O=C(O)C(C)CO\N=C3/c1ccccc1c2c3cccc2
OpenEye OEToolkits 1.5.0	C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O
CACTVS 3.341	C[CH](CON=C1c2ccccc2c3ccccc13)C(O)=O
CACTVS 3.341	C[C@@H](CON=C1c2ccccc2c3ccccc13)C(O)=O

Name:

(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid;
(S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid

DrugBank:

DB07201

ZINC:

ZINC000053682981

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).