SEQ2FUN

BioLiP

PDB CCD ID: MXD
Number of entries in BioLiP: 3
Chemical formula: C9 H15 N5 O
InChI: InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
InChIKey: ZFMITUMMTDLWHR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([n+](c(nc1N2CCCCC2)N)[O-])N
CACTVS 3.341Nc1cc(nc(N)[n+]1[O-])N2CCCCC2
ACDLabs 10.04[O-][n+]1c(nc(cc1N)N2CCCCC2)N
Name:6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE;
MINOXIDIL
ChEMBL: CHEMBL802
DrugBank: DB00350
ZINC: ZINC000000001735
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).