BioLiP

PDB

BioLiP

PDB CCD ID:

UPZ

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O3

InChI:

InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-8-4-9(14)12-13(8)6(7)2/h4-5H,3H2,1-2H3,(H,12,14)

InChIKey:

UGSAIASUGJTLIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)C1=C(C)N2NC(=O)C=C2N=C1
OpenEye OEToolkits 2.0.7	CCOC(=O)C1=C(N2C(=CC(=O)N2)N=C1)C

Name:

ethyl 7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

ZINC:

ZINC000000027938

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).