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BioLiP

PDB CCD ID: TQ7
Number of entries in BioLiP: 1
Chemical formula: C19 H16 Br N O S
InChI: InChI=1S/C19H16BrNOS/c1-21(19(22)16-12-13-17(20)23-16)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3
InChIKey: WORZHUYQQIIZTA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C(c1ccccc1)c2ccccc2)C(=O)c3sc(Br)cc3
ACDLabs 12.01c3c(Br)sc(C(=O)N(C(c1ccccc1)c2ccccc2)C)c3
OpenEye OEToolkits 2.0.7CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br
Name:5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide
ZINC: ZINC000036751284
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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