BioLiP

PDB

BioLiP

PDB CCD ID:

85L

Number of entries in BioLiP:

Chemical formula:

C3 H6 Au2 Cl2 N O2 S

InChI:

InChI=1S/C3H7NO2S.2Au.2ClH/c4-2(1-7)3(5)6;;;;/h2,7H,1,4H2,(H,5,6);;;2*1H/q;2*+1;;/p-3/t2-;;;;/m0..../s1

InChIKey:

FTGBJDXQQWTBOM-AIDJSRAFSA-K

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(C(=O)O)N)[S-]([Au]Cl)[Au]Cl
CACTVS 3.385	N[CH](C[S-]([Au]Cl)[Au]Cl)C(O)=O
OpenEye OEToolkits 2.0.7	C([C@@H](C(=O)O)N)[S-]([Au]Cl)[Au]Cl
CACTVS 3.385	N[C@@H](C[S-]([Au]Cl)[Au]Cl)C(O)=O

Name:

[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-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).