BioLiP

PDB

BioLiP

PDB CCD ID:

WLF

Number of entries in BioLiP:

Chemical formula:

C14 H14 Cl F3 N2 O3

InChI:

InChI=1S/C14H14ClF3N2O3/c15-8-3-4-10(9(7-8)14(16,17)18)19-12(23)20-13(11(21)22)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,21,22)(H2,19,20,23)

InChIKey:

ODLNGMALGLLBFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)C(F)(F)F)NC(=O)NC2(CCCC2)C(=O)O
CACTVS 3.385	OC(=O)C1(CCCC1)NC(=O)Nc2ccc(Cl)cc2C(F)(F)F
ACDLabs 12.01	O=C(NC1(CCCC1)C(=O)O)Nc1ccc(Cl)cc1C(F)(F)F

Name:

1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic 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).