BioLiP

PDB

BioLiP

PDB CCD ID:

SKQ

Number of entries in BioLiP:

Chemical formula:

C14 H19 Cl N4 O2

InChI:

InChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21)

InChIKey:

XKGWJQQBZFNYMZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2
OpenEye OEToolkits 2.0.7	C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl

Name:

5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one;
GFB-9289

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).