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BioLiP

PDB CCD ID: FAV
Number of entries in BioLiP: 1
Chemical formula: C19 H14 Cl N O2 S
InChI: InChI=1S/C19H14ClNO2S/c1-21(15-8-4-3-7-14(15)20)19(22)17-10-12-11-23-16-9-5-2-6-13(16)18(12)24-17/h2-10H,11H2,1H3
InChIKey: PCSYEOAUKWBYOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3
ACDLabs 12.01Clc1ccccc1N(C(=O)c3sc2c4ccccc4OCc2c3)C
CACTVS 3.370CN(C(=O)c1sc2c(COc3ccccc23)c1)c4ccccc4Cl
Name:N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
ChEMBL: CHEMBL1796267
ZINC: ZINC000005050688

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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