BioLiP

PDB

BioLiP

PDB CCD ID:

HAO

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O5

InChI:

InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)

InChIKey:

GRLLMVZTTMERGI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O
CACTVS 3.370	COc1ccc(NC(=O)C(O)=O)cc1C(=O)NN
ACDLabs 12.01	O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1

Name:

{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid

ZINC:

ZINC000058632278

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).