BioLiP

PDB

BioLiP

PDB CCD ID:

DFO

Number of entries in BioLiP:

Chemical formula:

C8 H15 F2 N O4

InChI:

InChI=1S/C8H15F2NO4/c1-4(2)3-5(11)8(14,15)7(9,10)6(12)13/h4-5,14-15H,3,11H2,1-2H3,(H,12,13)/t5-/m0/s1

InChIKey:

LSQJZHZWLIILRU-YFKPBYRVSA-N

SMILES:

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

Name:

2,2-DIFLUORO-3-HYDROSTATINE

ZINC:

ZINC000006762378

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).