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BioLiP

PDB CCD ID: P1W
Number of entries in BioLiP: 0
Chemical formula: C5 H10 O
InChI: InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
InChIKey: ASUAYTHWZCLXAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCO)C
CACTVS 3.385CC(C)=CCO
Name:3-methylbut-2-en-1-ol
ChEMBL: CHEMBL3184952
ZINC: ZINC000000897129
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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