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BioLiP

PDB CCD ID: XZU
Number of entries in BioLiP: 3
Chemical formula: C20 H22 N2 O
InChI: InChI=1S/C20H22N2O/c23-20(22-17-8-2-1-3-9-17)15-7-4-6-14(12-15)18-13-19(18)21-16-10-5-11-16/h1-4,6-9,12,16,18-19,21H,5,10-11,13H2,(H,22,23)/t18-,19+/m1/s1
InChIKey: OGPXXRHRKMJPBF-MOPGFXCFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)c2cccc(c2)C3CC3NC4CCC4
CACTVS 3.385O=C(Nc1ccccc1)c2cccc(c2)[C@H]3C[C@@H]3NC4CCC4
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)c2cccc(c2)[C@H]3C[C@@H]3NC4CCC4
CACTVS 3.385O=C(Nc1ccccc1)c2cccc(c2)[CH]3C[CH]3NC4CCC4
ACDLabs 12.01O=C(Nc1ccccc1)c1cccc(c1)C1CC1NC1CCC1
Name:3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide
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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