SEQ2FUN

BioLiP

PDB CCD ID: WZM
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N4 O
InChI: InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)
InChIKey: ASDJKAINAVUHGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C1CCC1)c2ccc(nn2)C(N)=O
OpenEye OEToolkits 2.0.7CN(c1ccc(nn1)C(=O)N)C2CCC2
ACDLabs 12.01c1(ccc(nn1)N(C)C2CCC2)C(=O)N
Name:6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
ChEMBL: CHEMBL3468572
ZINC: ZINC000095408844
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).