SEQ2FUN

BioLiP

PDB CCD ID: 1PF
Number of entries in BioLiP: 1
Chemical formula: C26 H33 N3 O2
InChI: InChI=1S/C26H33N3O2/c1-29-16-14-22(15-17-29)31-21-12-10-20(11-13-21)26-25-23(27-28-26)8-5-9-24(25)30-18-19-6-3-2-4-7-19/h5,8-13,19,22H,2-4,6-7,14-18H2,1H3,(H,27,28)
InChIKey: ZXTGHNQQRVHEIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CN1CCC(CC1)Oc2ccc(cc2)c3[nH]nc4cccc(OCC5CCCCC5)c34
OpenEye OEToolkits 1.7.6CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3
ACDLabs 12.01O(c4ccc(c2c3c(OCC1CCCCC1)cccc3nn2)cc4)C5CCN(C)CC5
Name:4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole
ZINC: ZINC000098208000
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).