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BioLiP

PDB CCD ID: V85
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N O S
InChI: InChI=1S/C15H15NOS/c17-15(16-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14,18H,11H2,(H,16,17)/t14-/m1/s1
InChIKey: TVHPOGBEVUIJPE-CQSZACIVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(C(=O)Nc2ccccc2)S
CACTVS 3.385S[C@H](Cc1ccccc1)C(=O)Nc2ccccc2
CACTVS 3.385S[CH](Cc1ccccc1)C(=O)Nc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S
Name:(2R)-N,3-diphenyl-2-sulfanyl-propanamide;
N,3-diphenyl-2-sulfanylpropanamide;
113905928
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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