BioLiP

PDB

BioLiP

PDB CCD ID:

R2C

Number of entries in BioLiP:

Chemical formula:

C20 H17 N O4

InChI:

InChI=1S/C20H17NO4/c1-24-17-11-12-19(18(13-17)20(22)23)21-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)

InChIKey:

YJRDHMUPONVWTE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	COc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(c1)C(O)=O
ACDLabs 10.04	O=C(O)c3cc(OC)ccc3Nc2ccc(Oc1ccccc1)cc2
OpenEye OEToolkits 1.5.0	COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3

Name:

5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID

ZINC:

ZINC000058638907

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).