BioLiP

PDB

BioLiP

PDB CCD ID:

6E3

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O2

InChI:

InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3

InChIKey:

VWKNUUOGGLNRNZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=C(C)C(=O)N2N1C(=C(C)C2=O)C
OpenEye OEToolkits 2.0.4	CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C
ACDLabs 12.01	O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C

Name:

2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

ZINC:

ZINC000014983633

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).