BioLiP Library

BioLiP Library

PDB CCD ID:

8ZR

Number of entries in BioLiP:

Chemical formula:

C10 H14 Cu N4 S

InChI:

InChI=1S/C10H14N4S.Cu/c1-8-5-4-6-9(12-8)7-11-13-10(15)14(2)3;/h4-7H,1-3H3,(H,13,15);/b11-7+;

InChIKey:

ZYDBCACRMLYTBZ-RVDQCCQOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[Cu].CN(C)C(=S)NN=Cc1cccc(C)n1
OpenEye OEToolkits 2.0.6	CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C

Name:

~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine

Reference:

Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
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).

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