BioLiP

PDB

BioLiP

PDB CCD ID:

A1BL0

Number of entries in BioLiP:

Chemical formula:

C14 H10 F3 N O4

InChI:

InChI=1S/C14H10F3NO4/c15-14(16,17)8-1-3-9(4-2-8)18-13(21)10-5-6-22-11(10)7-12(19)20/h1-6H,7H2,(H,18,21)(H,19,20)

InChIKey:

UXFNAPYRMJRLSO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1C(F)(F)F)NC(=O)c2ccoc2CC(=O)O
ACDLabs 14.52	O=C(Nc1ccc(cc1)C(F)(F)F)c1ccoc1CC(=O)O
CACTVS 3.385	OC(=O)Cc1occc1C(=O)Nc2ccc(cc2)C(F)(F)F

Name:

(3-{[4-(trifluoromethyl)phenyl]carbamoyl}furan-2-yl)acetic acid

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).