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BioLiP

PDB CCD ID: RTM
Number of entries in BioLiP: 1
Chemical formula: C19 H25 N3 O
InChI: InChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21)
InChIKey: GRFOHUBBUMAJMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.2		CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N
ACDLabs 12.01O=C(N(C1CCCCC1)C)CCc2cc3ccccc3nc2N
Name:3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
ChEMBL: CHEMBL1821809
ZINC: ZINC000072177385
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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