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BioLiP

PDB CCD ID: DK0
Number of entries in BioLiP: 2
Chemical formula: C9 H12 O
InChI: InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
InChIKey: WYTRYIUQUDTGSX-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](Cc1ccccc1)O
CACTVS 3.385C[CH](O)Cc1ccccc1
OpenEye OEToolkits 2.0.7CC(Cc1ccccc1)O
CACTVS 3.385C[C@@H](O)Cc1ccccc1
Name:(2~{R})-1-phenylpropan-2-ol
ZINC: ZINC000002046115
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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