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BioLiP

PDB CCD ID: TBU
Number of entries in BioLiP: 0
Chemical formula: C4 H10 O
InChI: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC(C)(C)O
ACDLabs 11.02OC(C)(C)C
Name:TERTIARY-BUTYL ALCOHOL;
2-METHYL-2-PROPANOL
ChEMBL: CHEMBL16502
DrugBank: DB03900
ZINC: ZINC000001680021
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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