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BioLiP

PDB CCD ID: SS2
Number of entries in BioLiP: 3
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
InChIKey: WAPNOHKVXSQRPX-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](O)c1ccccc1
CACTVS 3.341C[C@@H](O)c1ccccc1
OpenEye OEToolkits 1.5.0CC(c1ccccc1)O
OpenEye OEToolkits 1.5.0C[C@H](c1ccccc1)O
ACDLabs 10.04OC(c1ccccc1)C
Name:(1R)-1-PHENYLETHANOL;
1-PHENYLETHANOL
ChEMBL: CHEMBL151062
DrugBank: DB04784
ZINC: ZINC000000896626
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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