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BioLiP

PDB CCD ID: 1DJ
Number of entries in BioLiP: 2
Chemical formula: C9 H8 O
InChI: InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m1/s1
InChIKey: UIGLAZDLBZDVBL-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C#C[C@H](c1ccccc1)O
CACTVS 3.370O[CH](C#C)c1ccccc1
CACTVS 3.370O[C@H](C#C)c1ccccc1
OpenEye OEToolkits 1.7.6C#CC(c1ccccc1)O
ACDLabs 12.01C(#C)C(O)c1ccccc1
Name:(1R)-1-phenylprop-2-yn-1-ol
ZINC: ZINC000001673125
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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