BioLiP

PDB

BioLiP

PDB CCD ID:

GGU

Number of entries in BioLiP:

Chemical formula:

C16 H13 N3 O

InChI:

InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19)

InChIKey:

SDAWPVIWTVUTCC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Oc1ccccc1c1cc(c(N)nn1)c1ccccc1
CACTVS 3.385	Nc1nnc(cc1c2ccccc2)c3ccccc3O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cc(nnc2N)c3ccccc3O

Name:

2-(6-amino-5-phenylpyridazin-3-yl)phenol

ChEMBL:

CHEMBL5177096

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).