BioLiP

PDB

BioLiP

PDB CCD ID:

A1BVM

Number of entries in BioLiP:

Chemical formula:

C18 H18 N6

InChI:

InChI=1S/C18H18N6/c1-5-19-6-2-15(1)16-13-18(22-21-14-16)24-11-9-23(10-12-24)17-3-7-20-8-4-17/h1-8,13-14H,9-12H2

InChIKey:

PMYQZDHMSFEWMS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C1CN(CCN1c2ccncc2)c3cc(cnn3)c4ccncc4
ACDLabs 14.52	n1nc(cc(c1)c1ccncc1)N1CCN(CC1)c1ccncc1
OpenEye OEToolkits 3.1.0.0	c1cnccc1c2cc(nnc2)N3CCN(CC3)c4ccncc4

Name:

5-(pyridin-4-yl)-3-[4-(pyridin-4-yl)piperazin-1-yl]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).