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BioLiP

PDB CCD ID: HZC
Number of entries in BioLiP: 7
Chemical formula: C11 H23 N
InChI: InChI=1S/C11H23N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7,12H2,1-3H3/t9-,10-,11+/m1/s1
InChIKey: BMNCNNYYLCTHDB-MXWKQRLJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)[CH]1CC[CH](C)C[CH]1CN
CACTVS 3.385CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CN
OpenEye OEToolkits 2.0.7CC1CCC(C(C1)CN)C(C)C
OpenEye OEToolkits 2.0.7C[C@@H]1CC[C@H]([C@H](C1)CN)C(C)C
Name:[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine
ZINC: ZINC000140945489
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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