SEQ2FUN

BioLiP

PDB CCD ID: JEN
Number of entries in BioLiP: 2
Chemical formula: C16 H20 N4 O
InChI: InChI=1S/C16H20N4O/c1-13-4-3-5-14(12-13)19-8-10-20(11-9-19)15-6-7-16(21-2)18-17-15/h3-7,12H,8-11H2,1-2H3
InChIKey: DDOAUTHWSCUHQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1ccc(nn1)N2CCN(CC2)c3cccc(C)c3
OpenEye OEToolkits 1.5.0Cc1cccc(c1)N2CCN(CC2)c3ccc(nn3)OC
ACDLabs 10.04n1nc(ccc1OC)N3CCN(c2cc(ccc2)C)CC3
Name:3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE
ChEMBL: CHEMBL1233737
DrugBank: DB08017
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).