BioLiP

PDB

BioLiP

PDB CCD ID:

IN2

Number of entries in BioLiP:

Chemical formula:

C8 H18 N4 O3

InChI:

InChI=1S/C8H18N4O3/c1-11(2)7(13)10-12(8(14)15)6-4-3-5-9/h3-6,9H2,1-2H3,(H,10,13)(H,14,15)

InChIKey:

NKYYGDMMHLUQBA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(NN(C(=O)O)CCCCN)N(C)C
OpenEye OEToolkits 1.5.0	CN(C)C(=O)NN(CCCCN)C(=O)O
CACTVS 3.341	CN(C)C(=O)NN(CCCCN)C(O)=O

Name:

N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSINE

ZINC:

ZINC000024680440

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).