BioLiP

PDB

BioLiP

PDB CCD ID:

FIO

Number of entries in BioLiP:

Chemical formula:

C7 H14 F N3 O2

InChI:

InChI=1S/C7H14FN3O2/c8-4-6(10)11-3-1-2-5(9)7(12)13/h5H,1-4,9H2,(H2,10,11)(H,12,13)/t5-/m0/s1

InChIKey:

VHLCDEVOVRFHAP-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@H](CCCNC(=N)CF)C(O)=O
OpenEye OEToolkits 1.7.6	C(CC(C(=O)O)N)CNC(=N)CF
CACTVS 3.370	N[CH](CCCNC(=N)CF)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CCCNC(=[N@H])CF
OpenEye OEToolkits 1.7.6	[H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N

Name:

N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine

ZINC:

ZINC000098208887

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).