BioLiP

PDB

BioLiP

PDB CCD ID:

9UF

Number of entries in BioLiP:

Chemical formula:

C13 H20 N4 O4

InChI:

InChI=1S/C13H20N4O4/c14-10(12(18)19)3-1-2-6-16-13(20)21-8-9-4-5-11(15)17-7-9/h4-5,7,10H,1-3,6,8,14H2,(H2,15,17)(H,16,20)(H,18,19)/t10-/m0/s1

InChIKey:

BRYLMTIKKYDVII-JTQLQIEISA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(cnc(cc1)N)COC(NCCCCC(C(O)=O)N)=O
CACTVS 3.385	N[CH](CCCCNC(=O)OCc1ccc(N)nc1)C(O)=O
CACTVS 3.385	N[C@@H](CCCCNC(=O)OCc1ccc(N)nc1)C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(ncc1COC(=O)NCCCC[C@@H](C(=O)O)N)N
OpenEye OEToolkits 2.0.6	c1cc(ncc1COC(=O)NCCCCC(C(=O)O)N)N

Name:

N6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine

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).