SEQ2FUN

BioLiP

PDB CCD ID: S9C
Number of entries in BioLiP: 0
Chemical formula: C16 H10 F N3
InChI: InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H
InChIKey: GETAAWDSFUCLBS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(cn1)c2ccc3c([nH]c4ccncc34)c2
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1c3ccc(nc3)F)[nH]c4c2cncc4
Name:7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole
ChEMBL: CHEMBL3546271
DrugBank: DB15033
ZINC: ZINC000148048492
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).