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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: SVH
Number of entries in BioLiP: 1
Chemical formula: C13 H9 F N4 O
InChI: InChI=1S/C13H9FN4O/c14-6-1-7(9-5-17-18-11(9)2-6)8-3-15-12-10(8)4-16-13(12)19/h1-3,5,15H,4H2,(H,16,19)(H,17,18)
InChIKey: HAQWDJLVWPNOMF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1cc2[nH]ncc2c(c1)c3c[nH]c4C(=O)NCc34
OpenEye OEToolkits 2.0.7c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F
Name:3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one
ChEMBL: CHEMBL4743552

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)(download the PDF file).
  • 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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