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BioLiP

PDB CCD ID: 96Z
Number of entries in BioLiP: 4
Chemical formula: C13 H15 N O2
InChI: InChI=1S/C13H15NO2/c14-12(13(15)16)8-10-7-6-9-4-2-1-3-5-11(9)10/h2-6,12H,1,7-8,14H2,(H,15,16)/t12-/m0/s1
InChIKey: HICXVJKDDWMICV-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CC1=C2C=CCC=CC2=CC1)C(O)=O
OpenEye OEToolkits 2.0.6C1C=CC2=CCC(=C2C=C1)CC(C(=O)O)N
OpenEye OEToolkits 2.0.6C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CC1=C2C=CCC=CC2=CC1)C(O)=O
Name:(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
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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