BioLiP

PDB

BioLiP

PDB CCD ID:

UWS

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O2

InChI:

InChI=1S/C10H11N3O2/c1-7-3-4-10(14)13(11-7)6-9-5-8(2)12-15-9/h3-5H,6H2,1-2H3

InChIKey:

PLCLGFAKZPXQFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(on1)CN2C(=O)C=CC(=N2)C
CACTVS 3.385	CC1=NN(Cc2onc(C)c2)C(=O)C=C1
ACDLabs 12.01	N=2N(Cc1cc(C)no1)C(C=CC=2C)=O

Name:

6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one

ZINC:

ZINC000067747599

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).