BioLiP

PDB

BioLiP

PDB CCD ID:

J2O

Number of entries in BioLiP:

Chemical formula:

C9 H10 Au N3 O S

InChI:

InChI=1S/C9H12N3OS.Au/c1-6-2-3-8(13)7(4-6)5-11-12-9(10)14;/h2-4,13H,5H2,1H3,(H3,10,12,14);/q-1;+3/p-2

InChIKey:

MCPPSWFCAHTLOQ-UHFFFAOYSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N
CACTVS 3.385	Cc1ccc2O[Au]3SC(=NN3Cc2c1)N

Name:

11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine

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).