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BioLiP

PDB CCD ID: 2UR
Number of entries in BioLiP: 1
Chemical formula: C10 H10 F N O2
InChI: InChI=1S/C10H10FNO2/c1-5-2-6-3-7(11)4-8(10(12)13)9(6)14-5/h3-5H,2H2,1H3,(H2,12,13)/t5-/m1/s1
InChIKey: ZPHKBVTUIABAIO-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1Cc2cc(F)cc(C(N)=O)c2O1
OpenEye OEToolkits 1.7.6C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F
CACTVS 3.385C[C@@H]1Cc2cc(F)cc(C(N)=O)c2O1
OpenEye OEToolkits 1.7.6CC1Cc2cc(cc(c2O1)C(=O)N)F
ACDLabs 12.01Fc2cc1c(OC(C1)C)c(c2)C(=O)N
Name:(2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
ChEMBL: CHEMBL3290460
ZINC: ZINC000098208297
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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