BioLiP

PDB

BioLiP

PDB CCD ID:

61M

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O3

InChI:

InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13)

InChIKey:

POAXUNDIOGWQOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccccc1C(=O)CC(O)=O
OpenEye OEToolkits 2.0.4	c1ccc(c(c1)C(=O)CC(=O)O)N
ACDLabs 12.01	C(C(O)=O)C(c1ccccc1N)=O

Name:

3-(2-aminophenyl)-3-oxopropanoic acid;
2-aminobenzoylacetate

ZINC:

ZINC000059345360

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).