SEQ2FUN

BioLiP

PDB CCD ID: RNK
Number of entries in BioLiP: 1
Chemical formula: C11 H12 Cl N3 O S
InChI: InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3
InChIKey: UTXFLBKLCRBXBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl
CACTVS 3.385CN1N=CC(=C(Cl)C1=O)NCc2sccc2C
Name:4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
ChEMBL: CHEMBL4074202
ZINC: ZINC000040087342
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).