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BioLiP Library

PDB CCD ID: 61G
Number of entries in BioLiP: 1
Chemical formula: C5 H8
InChI: InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
InChIKey: RRHGJUQNOFWUDK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CC(=C)C=C
ACDLabs 12.01C\C(=C)[C@H]=C
Name:2-methylbuta-1,3-diene
ChEMBL: CHEMBL1566132
ZINC: ZINC000001699876
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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