SEQ2FUN

BioLiP

PDB CCD ID: WRU
Number of entries in BioLiP: 1
Chemical formula: C18 H20 N2
InChI: InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
InChIKey: UEQUQVLFIPOEMF-GOSISDBHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CN1CC2N(CC1)c1ccccc1Cc1ccccc21
OpenEye OEToolkits 2.0.7CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
CACTVS 3.385CN1CCN2[C@H](C1)c3ccccc3Cc4ccccc24
CACTVS 3.385CN1CCN2[CH](C1)c3ccccc3Cc4ccccc24
OpenEye OEToolkits 2.0.7CN1CCN2c3ccccc3Cc4ccccc4C2C1
Name:Mianserin
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).