BioLiP

PDB

BioLiP

PDB CCD ID:

F27

Number of entries in BioLiP:

Chemical formula:

C24 H18 N2 O4

InChI:

InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)

InChIKey:

VGYASWDHSIVABN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 11.02	O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4
OpenEye OEToolkits 1.7.0	c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O
CACTVS 3.352	OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCc3ccc(cc3)c4ccccc4

Name:

6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;
6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate

ChEMBL:

CHEMBL260747

ZINC:

ZINC000029151241

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).