BioLiP

PDB

BioLiP

PDB CCD ID:

KPF

Number of entries in BioLiP:

Chemical formula:

C9 H15 F N2 O4

InChI:

InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1

InChIKey:

WXGQZGWULWCASD-AVIBYBNCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CCCCN=C(CF)C(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CCCCN=C(CF)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(CCN=C(CF)C(=O)O)CC(C(=O)O)N

Name:

N-(1-carboxy-2-fluoro-ethenyl) lysine

ZINC:

ZINC000263621204

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).