BioLiP

PDB

BioLiP

PDB CCD ID:

7B4

Number of entries in BioLiP:

Chemical formula:

C9 H10 Cl N3

InChI:

InChI=1S/C9H10ClN3/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3/h4H,1-3H3

InChIKey:

RIVWEUYBKRJSIF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c2cnnc(c2c(n1C)C)Cl
CACTVS 3.385	Cn1c(C)c2cnnc(Cl)c2c1C

Name:

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

ZINC:

ZINC000012505260

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).