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BioLiP

PDB CCD ID: G8T
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N O S
InChI: InChI=1S/C17H21NOS/c1-17(16(19)18-12-13-20,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-20H,12-13H2,1H3/t16-/m0/s1
InChIKey: KDPCPEKIGGUZRH-INIZCTEOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O
CACTVS 3.385CC([C@H](O)NCCS)(c1ccccc1)c2ccccc2
OpenEye OEToolkits 2.0.6CC(c1ccccc1)(c2ccccc2)C(NCCS)O
CACTVS 3.385CC([CH](O)NCCS)(c1ccccc1)c2ccccc2
Name:(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
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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