BioLiP

PDB

BioLiP

PDB CCD ID:

W8B

Number of entries in BioLiP:

Chemical formula:

C8 H10 Cl N3 O2

InChI:

InChI=1S/C8H10ClN3O2/c9-7-6(5-10-11-8(7)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,11,13)

InChIKey:

NXBBUGQZWHZSPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ClC1=C(C=NNC1=O)N2CCOCC2
OpenEye OEToolkits 2.0.7	C1COCCN1C2=C(C(=O)NN=C2)Cl
ACDLabs 12.01	ClC1=C(C=NNC1=O)N1CCOCC1

Name:

4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one

ZINC:

ZINC000008622318

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).