BioLiP

PDB

BioLiP

PDB CCD ID:

EZM

Number of entries in BioLiP:

Chemical formula:

C15 H24 N4 O5

InChI:

InChI=1S/C15H24N4O5/c16-8-2-1-3-12(17)15(22)18-13(9-20)14(21)10-4-6-11(7-5-10)19(23)24/h4-7,12-14,20-21H,1-3,8-9,16-17H2,(H,18,22)/t12-,13+,14+/m0/s1

InChIKey:

LSXOPXJWOLKWDK-BFHYXJOUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCCC[CH](N)C(=O)N[CH](CO)[CH](O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(C(CO)NC(=O)C(CCCCN)N)O)[N+](=O)[O-]
OpenEye OEToolkits 2.0.6	c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](CCCCN)N)O)[N+](=O)[O-]
CACTVS 3.385	NCCCC[C@H](N)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O
ACDLabs 12.01	c1cc([N+]([O-])=O)ccc1C(O)C(NC(C(N)CCCCN)=O)CO

Name:

N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-lysinamide

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).