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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: 196
Number of entries in BioLiP: 2
Chemical formula: C17 H10 F N O2
InChI: InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H
InChIKey: NSSOSHDCWCMNDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc3cc(c2cc1ccc(O)cc1c(C#N)c2)ccc3O
CACTVS 3.341Oc1ccc2cc(cc(C#N)c2c1)c3ccc(O)c(F)c3
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O
Name:3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE
ChEMBL: CHEMBL192154
DrugBank: DB06875
ZINC: ZINC000003816518

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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