BioLiP

PDB

BioLiP

PDB CCD ID:

EPQ

Number of entries in BioLiP:

Chemical formula:

C8 H15 F N2 O2

InChI:

InChI=1S/C8H15FN2O2/c1-11(2)8(13)4-3-6(10)7(12)5-9/h6H,3-5,10H2,1-2H3/t6-/m0/s1

InChIKey:

UABSEKWZZVEQPX-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CN(C)C(=O)CC[C@@H](C(=O)CF)N
CACTVS 3.352	CN(C)C(=O)CC[C@H](N)C(=O)CF
OpenEye OEToolkits 1.6.1	CN(C)C(=O)CCC(C(=O)CF)N
CACTVS 3.352	CN(C)C(=O)CC[CH](N)C(=O)CF

Name:

(4S)-4-amino-6-fluoro-N,N-dimethyl-5-oxohexanamide

ZINC:

ZINC000058631539

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).