SEQ2FUN

BioLiP

PDB CCD ID: 5GL
Number of entries in BioLiP: 2
Chemical formula: C13 H20 N2 O S
InChI: InChI=1S/C13H20N2OS/c1-4-8-15-11-7-5-6-10(11)12(14-13(15)16)17-9(2)3/h9H,4-8H2,1-3H3
InChIKey: KUWKRQXLULNLGL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C
CACTVS 3.385CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2
Name:4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one
ZINC: ZINC000028288872
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).