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BioLiP Library

PDB CCD ID: 95T
Number of entries in BioLiP: 3
Chemical formula: C19 H16 Cl N O4
InChI: InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
InChIKey: VHKBTPQDHDSBSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(NC(=O)c2oc(cc2)c3ccc(Cl)cc3)cc(OC)c1
OpenEye OEToolkits 2.0.7COc1cc(cc(c1)OC)NC(=O)c2ccc(o2)c3ccc(cc3)Cl
Name:5-(4-chlorophenyl)-~{N}-(3,5-dimethoxyphenyl)furan-2-carboxamide
ChEMBL: CHEMBL250699
ZINC: ZINC000014982453
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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