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BioLiP

PDB CCD ID: TPH
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N O2
InChI: InChI=1/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1
InChIKey: IFTWVTAUEXLCHB-QMMMGPOBBQ
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(O)O)N
CACTVS 3.341N[CH](Cc1ccccc1)C(O)O
ACDLabs 10.04OC(O)C(N)Cc1ccccc1
Name:2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GROUP
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)(download the PDF file).
  • 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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