BioLiP

PDB

BioLiP

PDB CCD ID:

P9J

Number of entries in BioLiP:

Chemical formula:

C18 H15 N5 O

InChI:

InChI=1S/C18H15N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22)

InChIKey:

DSDIWWSXOOXFSI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccccc4
ACDLabs 12.01	O=C3N(N=C(Nc1nnc(c1)C)c2ccccc23)c4ccccc4
CACTVS 3.370	Cc1[nH]nc(NC2=NN(c3ccccc3)C(=O)c4ccccc24)c1

Name:

4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one

ChEMBL:

CHEMBL1615165

ZINC:

ZINC000043128171

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).