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BioLiP

PDB CCD ID: MEB
Number of entries in BioLiP: 15
Chemical formula: C4 H8
InChI: InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3
InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(=C)C
CACTVS 3.370CC(C)=C
ACDLabs 12.01C=C(\C)C
Name:2-methylprop-1-ene
ZINC: ZINC000059940055
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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