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BioLiP Library

PDB CCD ID: UZF
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N O S
InChI: InChI=1S/C16H15NOS/c18-16(11-19)17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-8,19H,9-11H2
InChIKey: LSKXZDXJGRPCMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCc3ccccc3N2C(=O)CS
CACTVS 3.385SCC(=O)N1c2ccccc2CCc3ccccc13
Name:1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone
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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