BioLiP

PDB

BioLiP

PDB CCD ID:

9UC

Number of entries in BioLiP:

Chemical formula:

C14 H19 N3 O6

InChI:

InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1

InChIKey:

XMTCOKGMBIHVBJ-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1COC(=O)NCCCCC(C(=O)O)N)[N+](=O)[O-]
CACTVS 3.385	N[CH](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-]
ACDLabs 12.01	c1(COC(=O)NCCCCC(C(O)=O)N)ccc(cc1)[N+]([O-])=O
CACTVS 3.385	N[C@@H](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O

Name:

N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine

ZINC:

ZINC000002560755

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).