BioLiP

PDB

BioLiP

PDB CCD ID:

QMW

Number of entries in BioLiP:

Chemical formula:

C15 H18 N4 O2

InChI:

InChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18)

InChIKey:

IYHIMSKJSRZGKN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1nnc(cc1N2CCC(O)CC2)c3ccccc3O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O

Name:

1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol;
DP28

ChEMBL:

CHEMBL4793170

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).