BioLiP

PDB

BioLiP

PDB CCD ID:

LWF

Number of entries in BioLiP:

Chemical formula:

C7 H10 F2 O2

InChI:

InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(4-7)6(10)11/h5H,1-4H2,(H,10,11)/t5-/m1/s1

InChIKey:

GSVZSOJKYXYXAX-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C[C@H](CC(C1)(F)F)C(=O)O
OpenEye OEToolkits 2.0.7	C1CC(CC(C1)(F)F)C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCCC(F)(F)C1
CACTVS 3.385	OC(=O)[C@@H]1CCCC(F)(F)C1

Name:

(1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid

ZINC:

ZINC000076594660

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).