BioLiP

PDB

BioLiP

PDB CCD ID:

MWL

Number of entries in BioLiP:

Chemical formula:

C23 H21 N7

InChI:

InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2

InChIKey:

OAXXZZBGZDNSGE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5ncccn5
ACDLabs 12.01	n1cccnc1N5CCN(c4nnc(c2ccccc2)c(c3ccncc3)c4)CC5
OpenEye OEToolkits 1.7.6	c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5

Name:

3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine

ChEMBL:

CHEMBL4632881

ZINC:

ZINC000043197356

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).