BioLiP

PDB

BioLiP

PDB CCD ID:

A1B7S

Number of entries in BioLiP:

Chemical formula:

C23 H21 N5

InChI:

InChI=1S/C23H21N5/c1-2-4-19-15-20(6-5-17(19)3-1)23-21(18-7-9-24-10-8-18)16-22(26-27-23)28-13-11-25-12-14-28/h1-10,15-16,25H,11-14H2

InChIKey:

QUHUYHMRDJMTMH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	n1nc(cc(c2ccncc2)c1c1cc2ccccc2cc1)N1CCNCC1
CACTVS 3.385	C1CN(CCN1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
OpenEye OEToolkits 3.1.0.0	c1ccc2cc(ccc2c1)c3c(cc(nn3)N4CCNCC4)c5ccncc5

Name:

(3P)-3-(naphthalen-2-yl)-6-(piperazin-1-yl)-4-(pyridin-4-yl)pyridazine

ChEMBL:

CHEMBL4647072

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).