BioLiP

PDB

BioLiP

PDB CCD ID:

JI6

Number of entries in BioLiP:

Chemical formula:

C11 H11 Cu N O4

InChI:

InChI=1S/C11H13NO4.Cu/c1-7(13)10(11(15)16)12-6-8-4-2-3-5-9(8)14;/h2-7,10,13-14H,1H3,(H,15,16);/q;+2/p-2/b12-6+;/t7-,10+;/m1./s1

InChIKey:

RLMUPHKMYNMLMB-NBDMYRNNSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H]([C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2)O
OpenEye OEToolkits 2.0.7	CC(C1C(=O)O[Cu]2[N]1=Cc3ccccc3O2)O
CACTVS 3.385	C[CH](O)[CH]1N=Cc2ccccc2O[Cu]OC1=O
CACTVS 3.385	C[C@@H](O)[C@@H]1N=Cc2ccccc2O[Cu]OC1=O

Name:

(6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one

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).