BioLiP

PDB

BioLiP

PDB CCD ID:

CVF

Number of entries in BioLiP:

Chemical formula:

C17 H17 N O3

InChI:

InChI=1S/C17H17NO3/c1-12(19)18-10-9-13-5-7-14(8-6-13)15-3-2-4-16(11-15)17(20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)

InChIKey:

OGVOCGQIMXHGHF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(O)=O
OpenEye OEToolkits 2.0.6	CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O

Name:

3-[4-(2-acetamidoethyl)phenyl]benzoic acid

ChEMBL:

CHEMBL4176770

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).