SEQ2FUN

BioLiP

PDB CCD ID: N9W
Number of entries in BioLiP: 2
Chemical formula: C20 H21 N3 O2
InChI: InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
InChIKey: GOVYBPLHWIEHEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1
CACTVS 3.385CN1CCc2n(Cc3ccc(cc3)C(=O)NO)c4ccccc4c2C1
Name:4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide
ChEMBL: CHEMBL2018302
ZINC: ZINC000051951670
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).