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BioLiP

PDB CCD ID: 0AO
Number of entries in BioLiP: 0
Chemical formula: C13 H13 N O
InChI: InChI=1S/C13H13NO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9,12H,8,14H2/t12-/m0/s1
InChIKey: VDSBYCKQQBUKLD-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2C[C@@H](C=O)N
CACTVS 3.341N[CH](Cc1cccc2ccccc12)C=O
ACDLabs 10.04O=CC(N)Cc2cccc1ccccc12
CACTVS 3.341N[C@@H](Cc1cccc2ccccc12)C=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2CC(C=O)N
Name:(2S)-2-amino-3-naphthalen-1-ylpropanal
ZINC: ZINC000101279165
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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