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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 3B8
Number of entries in BioLiP: 1
Chemical formula: C13 H8 F N3 O3
InChI: InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19)
InChIKey: GCHMLYYPYFXLQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N
ACDLabs 10.04Fc2cc1C(=O)c3cc(c(nc3Oc1cc2)N)C(=O)N
CACTVS 3.341NC(=O)c1cc2C(=O)c3cc(F)ccc3Oc2nc1N
Name:2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide;
2-Amino-6-fluoro-10-oxo-10H-9-oxa-1-aza-anthracene-3-carboxylic acid amide
DrugBank: DB07040
ZINC: ZINC000034125053

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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