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BioLiP

PDB CCD ID: 5GJ
Number of entries in BioLiP: 1
Chemical formula: C15 H19 N O2
InChI: InChI=1S/C15H19NO2/c17-13-7-4-10-16(11-13)14(18)15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2/t13-/m1/s1
InChIKey: NMEGOWUYSINAGN-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2(CC2)C(=O)N3CCC[C@H](C3)O
CACTVS 3.385O[C@@H]1CCCN(C1)C(=O)C2(CC2)c3ccccc3
CACTVS 3.385O[CH]1CCCN(C1)C(=O)C2(CC2)c3ccccc3
ACDLabs 12.01c1ccccc1C2(CC2)C(=O)N3CCCC(C3)O
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2(CC2)C(=O)N3CCCC(C3)O
Name:[(3R)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone
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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