BioLiP

PDB

BioLiP

PDB CCD ID:

PDF

Number of entries in BioLiP:

Chemical formula:

C5 H7 F2 N O2

InChI:

InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1

InChIKey:

ZPBIYZHGBPBZCK-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@H](NCC1(F)F)C(=O)O
OpenEye OEToolkits 1.5.0	C1C(NCC1(F)F)C(=O)O
CACTVS 3.341	OC(=O)[C@@H]1CC(F)(F)CN1
CACTVS 3.341	OC(=O)[CH]1CC(F)(F)CN1
ACDLabs 10.04	O=C(O)C1NCC(F)(F)C1

Name:

4,4-difluoro-L-proline

ZINC:

ZINC000033604896

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).