BioLiP

PDB

BioLiP

PDB CCD ID:

2YF

Number of entries in BioLiP:

Chemical formula:

C12 H21 N3 O3

InChI:

InChI=1S/C12H21N3O3/c13-9(12(17)18)5-1-3-8-15-11(16)10-6-2-4-7-14-10/h7,9-10H,1-6,8,13H2,(H,15,16)(H,17,18)/t9-,10+/m0/s1

InChIKey:

KRPZACZJBBRBIT-VHSXEESVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CC=NC(C1)C(=O)NCCCCC(C(=O)O)N
ACDLabs 12.01	O=C(NCCCCC(C(=O)O)N)C1N=CCCC1
OpenEye OEToolkits 1.7.6	C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](CCCCNC(=O)[C@H]1CCCC=N1)C(O)=O
CACTVS 3.385	N[CH](CCCCNC(=O)[CH]1CCCC=N1)C(O)=O

Name:

N~6~-[(2R)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-L-lysine

ZINC:

ZINC000098208351

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).