BioLiP

PDB

BioLiP

PDB CCD ID:

O4L

Number of entries in BioLiP:

Chemical formula:

C17 H16 N4 O3

InChI:

InChI=1S/C17H16N4O3/c1-9-8-14(11(3)22)10(2)21(9)20-17(24)15-12-6-4-5-7-13(12)16(23)19-18-15/h4-8H,1-3H3,(H,19,23)(H,20,24)

InChIKey:

ZRVUXGAJUNHVRN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(c(n1NC(=O)C2=NNC(=O)c3c2cccc3)C)C(=O)C
ACDLabs 12.01	CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc32)c1C
CACTVS 3.385	CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc23)c1C

Name:

N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

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).