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BioLiP

PDB CCD ID: K0A
Number of entries in BioLiP: 8
Chemical formula: C10 H14 N2 O S
InChI: InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
InChIKey: BRAPKXFMPGACJU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1sc(C)c(n1)C(=O)N2CCCC2
OpenEye OEToolkits 2.0.6Cc1c(nc(s1)C)C(=O)N2CCCC2
ACDLabs 12.01N1(CCCC1)C(=O)c2c(sc(n2)C)C
Name:(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone
ZINC: ZINC000082264779
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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