BioLiP

PDB

BioLiP

PDB CCD ID:

WK4

Number of entries in BioLiP:

Chemical formula:

C8 H13 N3 O2

InChI:

InChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3

InChIKey:

WSDMJRGHLMKKID-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(C)C(=O)OCCn1ccnc1
ACDLabs 12.01	c1cncn1CCOC(=O)N(C)C

Name:

2-(1H-imidazol-1-yl)ethyl dimethylcarbamate

ZINC:

ZINC000000387415

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).