SEQ2FUN

BioLiP

PDB CCD ID: DV1
Number of entries in BioLiP: 2
Chemical formula: C10 H16 N2 O4 S
InChI: InChI=1S/C10H16N2O4S/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h2,5-9,13-15H,1,3-4H2,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1
InChIKey: RFYRJQYZBZAHNY-JGKVKWKGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C=CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O
CACTVS 3.385OC[CH]1O[CH]2SC(=N[CH]2[CH](O)[CH]1O)NCC=C
OpenEye OEToolkits 1.7.6C=CCNC1=NC2C(C(C(OC2S1)CO)O)O
CACTVS 3.385OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)NCC=C
Name:(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol;
Propyleneaminothiazoline
ZINC: ZINC000117461554
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).