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BioLiP

PDB CCD ID: NPU
Number of entries in BioLiP: 1
Chemical formula: C9 H13 N O
InChI: InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1
InChIKey: DLNKOYKMWOXYQA-APPZFPTMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(C(c1ccccc1)O)N
CACTVS 3.370C[CH](N)[CH](O)c1ccccc1
ACDLabs 12.01OC(c1ccccc1)C(N)C
OpenEye OEToolkits 1.7.2C[C@H]([C@@H](c1ccccc1)O)N
CACTVS 3.370C[C@@H](N)[C@H](O)c1ccccc1
Name:(1R,2R)-2-amino-1-phenylpropan-1-ol
ChEMBL: CHEMBL1788114
ZINC: ZINC000000157548
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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