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BioLiP

PDB CCD ID: RIN
Number of entries in BioLiP: 2
Chemical formula: C12 H24 N2 O
InChI: InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1
InChIKey: CQZLEYBEPASILI-NSHDSACASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1NCCCCCCCCCCC1N
CACTVS 3.341N[C@H]1CCCCCCCCCCNC1=O
OpenEye OEToolkits 1.5.0C1CCCCCNC(=O)C(CCCC1)N
CACTVS 3.341N[CH]1CCCCCCCCCCNC1=O
OpenEye OEToolkits 1.5.0C1CCCCCNC(=O)[C@H](CCCC1)N
Name:3-AMINO-AZACYCLOTRIDECAN-2-ONE
DrugBank: DB08476
ZINC: ZINC000005840837
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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