SEQ2FUN

BioLiP

PDB CCD ID: BSW
Number of entries in BioLiP: 1
Chemical formula: C12 H8 F N3
InChI: InChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16)
InChIKey: IKSVOVRMDGWNBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c[nH]c2c1c(ccn2)c3ccncc3F
CACTVS 3.385Fc1cnccc1c2ccnc3[nH]ccc23
Name:4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
ChEMBL: CHEMBL4541864
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).