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BioLiP

PDB CCD ID: K7M
Number of entries in BioLiP: 3
Chemical formula: C9 H13 N O
InChI: InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1
InChIKey: LPZRPPBVFGJUOJ-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(Cc1ccccc1)NO
CACTVS 3.385C[CH](Cc1ccccc1)NO
CACTVS 3.385
OpenEye OEToolkits 2.0.6		C[C@H](Cc1ccccc1)NO
ACDLabs 12.01c1ccccc1CC(C)NO
Name:(2R)-N-hydroxy-1-phenylpropan-2-amine;
N-(1-phenylpropan-2-yl)hydroxylamine
ZINC: ZINC000002020043
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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