BioLiP

PDB

BioLiP

PDB CCD ID:

JMP

Number of entries in BioLiP:

Chemical formula:

C17 H17 N O4

InChI:

InChI=1S/C17H17NO4/c1-11(2)22-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)

InChIKey:

KYJJIYQTBSEESE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O
CACTVS 3.352	CC(C)Oc1cccc(NC(=O)c2ccccc2C(O)=O)c1

Name:

2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid;
N-(3-Isopropoxy-phenyl)-phthalamicacid

ZINC:

ZINC000010715425

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).