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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: 01I
Number of entries in BioLiP: 2
Chemical formula: C16 H8 O6
InChI: InChI=1S/C16H8O6/c17-15(18)13-4-8-3-7-1-2-11-10(6-14(21-11)16(19)20)9(7)5-12(8)22-13/h1-6H,(H,17,18)(H,19,20)
InChIKey: IPFSIVVOJSEJOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O
CACTVS 3.370OC(=O)c1oc2cc3c(ccc4oc(cc34)C(O)=O)cc2c1
ACDLabs 12.01O=C(O)c1oc4c(c1)c3cc2oc(cc2cc3cc4)C(=O)O
Name:naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
ZINC: ZINC000001617353

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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