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BioLiP

PDB CCD ID: RNU
Number of entries in BioLiP: 6
Chemical formula: C14 H17 N3 O3 S2
InChI: InChI=1S/C14H17N3O3S2/c1-8-3-4-11(20-8)13(19)17-7-21-6-10(17)12(18)16-14-15-5-9(2)22-14/h3-5,10,14-15H,6-7H2,1-2H3,(H,16,18)/t10-,14+/m1/s1
InChIKey: UAKUHPRPOILDIK-YGRLFVJLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1ccc(o1)C(=O)N2CSCC2C(=O)NC3NC=C(S3)C
CACTVS 3.385Cc1oc(cc1)C(=O)N2CSC[CH]2C(=O)N[CH]3NC=C(C)S3
CACTVS 3.385Cc1oc(cc1)C(=O)N2CSC[C@@H]2C(=O)N[C@@H]3NC=C(C)S3
Name:~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide
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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