BioLiP

PDB

BioLiP

PDB CCD ID:

7B3

Number of entries in BioLiP:

Chemical formula:

C10 H13 N3 O

InChI:

InChI=1S/C10H13N3O/c1-6-8-5-11-12-10(14-4)9(8)7(2)13(6)3/h5H,1-4H3

InChIKey:

JBVFAOAKSYCBHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c2cnnc(c2c(n1C)C)OC
CACTVS 3.385	COc1nncc2c(C)n(C)c(C)c12

Name:

4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine

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).