BioLiP

PDB

BioLiP

PDB CCD ID:

A1CTD

Number of entries in BioLiP:

Chemical formula:

C25 H24 N4

InChI:

InChI=1S/C25H24N4/c1-29-14-10-20(11-15-29)24-17-23(19-8-12-26-13-9-19)25(28-27-24)22-7-6-18-4-2-3-5-21(18)16-22/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3

InChIKey:

MSCFDAJGRPMPRU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1CCC(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
OpenEye OEToolkits 3.1.0.0	CN1CCC(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5
ACDLabs 14.52	CN1CCC(CC1)c1nnc(c2cc3ccccc3cc2)c(c1)c1ccncc1

Name:

(3P)-6-(1-methylpiperidin-4-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-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).