BioLiP

PDB

BioLiP

PDB CCD ID:

RAC

Number of entries in BioLiP:

Chemical formula:

C18 H18 N2 O5

InChI:

InChI=1S/C18H18N2O5/c1-20(2)16(21)14-5-3-4-6-15(14)19-18(24)25-11-12-7-9-13(10-8-12)17(22)23/h3-10H,11H2,1-2H3,(H,19,24)(H,22,23)

InChIKey:

WBKIRHATIRDZAH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
CACTVS 3.341	CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(O)=O
ACDLabs 10.04	O=C(N(C)C)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O

Name:

4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID

ZINC:

ZINC000002047722

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).