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BioLiP

PDB CCD ID: REG
Number of entries in BioLiP: 7
Chemical formula: C11 H20 N2 O2
InChI: InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1
InChIKey: GZCFMEFTVSKHDE-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NC[C@@H]1CCCO1)NC2CCCC2
OpenEye OEToolkits 2.0.6C1CCC(C1)NC(=O)NCC2CCCO2
OpenEye OEToolkits 2.0.6C1CCC(C1)NC(=O)NC[C@@H]2CCCO2
CACTVS 3.385O=C(NC[CH]1CCCO1)NC2CCCC2
Name:1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
ZINC: ZINC000030984714
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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