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BioLiP

PDB CCD ID: 89W
Number of entries in BioLiP: 3
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m1/s1
InChIKey: ZFLKDMGBVZHBAC-LLVKDONJSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NC1CCCNC1)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)NC2CCCNC2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)N[C@@H]2CCCNC2
CACTVS 3.385O=C(N[CH]1CCCNC1)c2ccccc2
CACTVS 3.385O=C(N[C@@H]1CCCNC1)c2ccccc2
Name:N-[(3R)-piperidin-3-yl]benzamide
ZINC: ZINC000019263729
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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