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BioLiP

PDB CCD ID: 5TE
Number of entries in BioLiP: 1
Chemical formula: C19 H28 N2 O
InChI: InChI=1S/C19H28N2O/c22-19(12-11-16-7-2-3-8-16)20-17-9-6-10-18(15-17)21-13-4-1-5-14-21/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,20,22)
InChIKey: ICGIQDRKVXQXTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3
CACTVS 3.385O=C(CCC1CCCC1)Nc2cccc(c2)N3CCCCC3
Name:3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide
ZINC: ZINC000065665496
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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