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BioLiP

PDB CCD ID: VBK
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N O S
InChI: InChI=1S/C8H11NOS/c9-5-7-6-2-4-11-8(6)1-3-10-7/h2,4,7H,1,3,5,9H2/t7-/m1/s1
InChIKey: NMVKUIFBCHQTHO-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC[C@H]1OCCc2sccc12
CACTVS 3.385NC[CH]1OCCc2sccc12
OpenEye OEToolkits 2.0.7c1csc2c1C(OCC2)CN
OpenEye OEToolkits 2.0.7c1csc2c1[C@H](OCC2)CN
Name:[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine;
4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine;
6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethanamine;
12225896
ZINC: ZINC000012370667
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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