BioLiP

PDB

BioLiP

PDB CCD ID:

41I

Number of entries in BioLiP:

Chemical formula:

C17 H12 Cl N3 O3

InChI:

InChI=1S/C17H12ClN3O3/c18-11-6-8-13(9-7-11)24-14-10-15(22)21(20-16(14)17(19)23)12-4-2-1-3-5-12/h1-10H,(H2,19,23)

InChIKey:

JNJFDMSSDRBEMQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl
CACTVS 3.385	NC(=O)C1=NN(C(=O)C=C1Oc2ccc(Cl)cc2)c3ccccc3
ACDLabs 12.01	Clc3ccc(OC1=CC(=O)N(N=C1C(=O)N)c2ccccc2)cc3

Name:

4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide

ZINC:

ZINC000001391243

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).