BioLiP

PDB

BioLiP

PDB CCD ID:

ZT1

Number of entries in BioLiP:

Chemical formula:

C14 H26 N4 O2

InChI:

InChI=1S/C14H26N4O2/c1-11(2)18(9-12-8-16-10-17(12)3)7-5-4-6-13(15)14(19)20/h8,10-11,13H,4-7,9,15H2,1-3H3,(H,19,20)/t13-/m0/s1

InChIKey:

LXXPOZGLFXPWOY-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C
CACTVS 3.385	CC(C)N(CCCC[C@H](N)C(O)=O)Cc1cncn1C
ACDLabs 12.01	Cn1cncc1CN(CCCCC(N)C(=O)O)C(C)C
OpenEye OEToolkits 2.0.7	CC(C)N(CCCCC(C(=O)O)N)Cc1cncn1C
CACTVS 3.385	CC(C)N(CCCC[CH](N)C(O)=O)Cc1cncn1C

Name:

N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-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).