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BioLiP

PDB CCD ID: H4Q
Number of entries in BioLiP: 1
Chemical formula: C10 H14 O
InChI: InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3/t8-/m1/s1
InChIKey: ZUTYZAFDFLLILI-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[CH](C)c1ccc(O)cc1
OpenEye OEToolkits 2.0.6CC[C@@H](C)c1ccc(cc1)O
OpenEye OEToolkits 2.0.6CCC(C)c1ccc(cc1)O
CACTVS 3.385CC[C@@H](C)c1ccc(O)cc1
Name:4-[(2~{R})-butan-2-yl]phenol
ZINC: ZINC000002041161
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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