BioLiP

PDB

BioLiP

PDB CCD ID:

6O0

Number of entries in BioLiP:

Chemical formula:

C8 H14 Au Cl N2

InChI:

InChI=1S/C8H14N2.Au.ClH/c1-3-4-5-10-7-6-9(2)8-10;;/h6-7H,3-5H2,1-2H3;;1H/q;+1;/p-1

InChIKey:

VPJMTYLCIKLAAU-UHFFFAOYSA-M

SMILES:

Software	SMILES
ACDLabs 12.01	C=1N(CCCC)C(\N(C=1)C)=[Au]\Cl
CACTVS 3.385	CCCCN1C=CN(C)C1=[Au]Cl
OpenEye OEToolkits 2.0.4	CCCCN1C=CN(C1=[Au]Cl)C

Name:

(1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold

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).