BioLiP

PDB

BioLiP

PDB CCD ID:

9TR

Number of entries in BioLiP:

Chemical formula:

C14 H19 N5 O4

InChI:

InChI=1S/C14H19N5O4/c15-12(13(20)21)6-1-2-7-17-14(22)23-9-10-4-3-5-11(8-10)18-19-16/h3-5,8,12H,1-2,6-7,9,15H2,(H,17,22)(H,20,21)/t12-/m0/s1

InChIKey:

HFCHIMDWTVTIEA-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N
ACDLabs 12.01	c1(COC(NCCCCC(C(=O)O)N)=O)cc(ccc1)N=[N+]=[N-]
CACTVS 3.385	N[CH](CCCCNC(=O)OCc1cccc(c1)N=[N+]=[N-])C(O)=O
CACTVS 3.385	N[C@@H](CCCCNC(=O)OCc1cccc(c1)N=[N+]=[N-])C(O)=O

Name:

N6-{[(3-azidophenyl)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).