BioLiP

PDB

BioLiP

PDB CCD ID:

DFI

Number of entries in BioLiP:

Chemical formula:

C8 H15 F2 N O3

InChI:

InChI=1S/C8H15F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6,12H,3,11H2,1-2H3,(H,13,14)/t5-,6+/m0/s1

InChIKey:

SUJALIOOVGLZNM-NTSWFWBYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(C)C[CH](N)[CH](O)C(F)(F)C(O)=O
CACTVS 3.341	CC(C)C[C@H](N)[C@@H](O)C(F)(F)C(O)=O
ACDLabs 10.04	FC(F)(C(=O)O)C(O)C(N)CC(C)C
OpenEye OEToolkits 1.5.0	CC(C)CC(C(C(C(=O)O)(F)F)O)N
OpenEye OEToolkits 1.5.0	CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N

Name:

2,2-DIFLUOROSTATINE

ZINC:

ZINC000006762384

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).