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BioLiP

PDB CCD ID: JJ4
Number of entries in BioLiP: 0
Chemical formula: C12 H18 N2 O S
InChI: InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)
InChIKey: OCHVUIYGDNVFCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(C(Nc1ncc(C)s1)=O)CC2CCCC2
OpenEye OEToolkits 2.0.6Cc1cnc(s1)NC(=O)CCC2CCCC2
CACTVS 3.385Cc1sc(NC(=O)CCC2CCCC2)nc1
Name:3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
ZINC: ZINC000000475038
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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