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BioLiP

PDB CCD ID: QBB
Number of entries in BioLiP: 1
Chemical formula: C16 H15 F N2 O
InChI: InChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKey: PGZJYUJKVGSJFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1ccc(cc1)C(=O)Nc2ccc3c(c2)CNCC3
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F
CACTVS 3.385Fc1ccc(cc1)C(=O)Nc2ccc3CCNCc3c2
Name:4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
ChEMBL: CHEMBL3355053
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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