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BioLiP

PDB CCD ID: JA6
Number of entries in BioLiP: 1
Chemical formula: C18 H23 F N2 O2
InChI: InChI=1S/C18H23FN2O2/c1-12(22)21(16-10-11-16)17(13-6-8-14(19)9-7-13)18(23)20-15-4-2-3-5-15/h6-9,15-17H,2-5,10-11H2,1H3,(H,20,23)/t17-/m1/s1
InChIKey: WMTNJDDVDAMKPW-QGZVFWFLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)N(C1CC1)[C@H](c2ccc(cc2)F)C(=O)NC3CCCC3
CACTVS 3.385CC(=O)N(C1CC1)[CH](C(=O)NC2CCCC2)c3ccc(F)cc3
CACTVS 3.385CC(=O)N(C1CC1)[C@@H](C(=O)NC2CCCC2)c3ccc(F)cc3
OpenEye OEToolkits 2.0.7CC(=O)N(C1CC1)C(c2ccc(cc2)F)C(=O)NC3CCCC3
Name:(2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide
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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