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BioLiP

PDB CCD ID: 67Y
Number of entries in BioLiP: 4
Chemical formula: C12 H15 N O2
InChI: InChI=1S/C12H15NO2/c14-8-12(15)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11,14H,3,5,7-8H2,(H,13,15)/t11-/m1/s1
InChIKey: BBTOVZWCAMQWRJ-LLVKDONJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc2c(c1)CCC[C@H]2NC(=O)CO
OpenEye OEToolkits 2.0.4c1ccc2c(c1)CCCC2NC(=O)CO
CACTVS 3.385OCC(=O)N[CH]1CCCc2ccccc12
CACTVS 3.385OCC(=O)N[C@@H]1CCCc2ccccc12
ACDLabs 12.01C2(c1c(cccc1)CCC2)NC(CO)=O
Name:2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
ZINC: ZINC000021952941
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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