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BioLiP

PDB CCD ID: PWD
Number of entries in BioLiP: 5
Chemical formula: C7 H5 F N2
InChI: InChI=1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey: BALBNSFYMXBWNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c[nH]c2c1cc(cn2)F
ACDLabs 12.01n1c2c(cc1)cc(cn2)F
CACTVS 3.385Fc1cnc2[nH]ccc2c1
Name:5-fluoro-1H-pyrrolo[2,3-b]pyridine
ChEMBL: CHEMBL4532450
ZINC: ZINC000014400996
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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