BioLiP

PDB

BioLiP

PDB CCD ID:

A1BO6

Number of entries in BioLiP:

Chemical formula:

C15 H14 N4 O3

InChI:

InChI=1S/C15H14N4O3/c1-19-15(21)12-5-3-2-4-11(12)13(18-19)14(20)16-7-6-10-8-22-9-17-10/h2-5,8-9H,6-7H2,1H3,(H,16,20)

InChIKey:

LDVAVSGFMNNJNN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN1C(=O)c2ccccc2C(=N1)C(=O)NCCc3cocn3
CACTVS 3.385	CN1N=C(C(=O)NCCc2cocn2)c3ccccc3C1=O
ACDLabs 14.52	O=C1c2ccccc2C(=NN1C)C(=O)NCCc1cocn1

Name:

3-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-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).