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BioLiP

PDB CCD ID: PS0
Number of entries in BioLiP: 0
Chemical formula: C10 H15 N O
InChI: InChI=1S/C10H15NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3/t8-,10-/m0/s1
InChIKey: SMZUMFSKQVVOOV-WPRPVWTQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C(Cc1ccccc1)N)O
OpenEye OEToolkits 1.7.0C[C@@H]([C@H](Cc1ccccc1)N)O
CACTVS 3.370C[CH](O)[CH](N)Cc1ccccc1
ACDLabs 12.01OC(C(N)Cc1ccccc1)C
CACTVS 3.370C[C@H](O)[C@@H](N)Cc1ccccc1
Name:3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL
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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