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BioLiP

PDB CCD ID: 7A8
Number of entries in BioLiP: 2
Chemical formula: C9 H17 N
InChI: InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1
InChIKey: LDFVYCXKPXXSNO-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C)[CH]1CCC(=CC1)C
ACDLabs 10.04N(C)(C)C1CC=C(C)CC1
CACTVS 3.341CN(C)[C@@H]1CCC(=CC1)C
OpenEye OEToolkits 1.5.0CC1=CCC(CC1)N(C)C
OpenEye OEToolkits 1.5.0CC1=CC[C@@H](CC1)N(C)C
Name:(1R)-DIMETHYL-(4-METHYL-CYCLOHEX-3-ENYL)-AMINE;
(4R)-7AZA-7,8-DIHYDROLIMONENE
DrugBank: DB01802
ZINC: ZINC000005964439
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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