BioLiP

PDB

BioLiP

PDB CCD ID:

P09

Number of entries in BioLiP:

Chemical formula:

C22 H19 N O4

InChI:

InChI=1S/C22H19NO4/c1-14-7-10-18(13-15(14)2)27-17-11-8-16(9-12-17)23-21(24)19-5-3-4-6-20(19)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)

InChIKey:

NZJZJKJPXZZEEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)cc1C
OpenEye OEToolkits 1.7.2	Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O
ACDLabs 12.01	O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2cc(c(cc2)C)C)cc3

Name:

2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid;
BPH-1299

ZINC:

ZINC000003039535

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).