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BioLiP

PDB CCD ID: 2MH
Number of entries in BioLiP: 3
Chemical formula: C7 H15 N
InChI: InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7+
InChIKey: KSMVBYPXNKCPAJ-KNVOCYPGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@@H]1CC[C@H](N)CC1
CACTVS 3.341C[CH]1CC[CH](N)CC1
ACDLabs 10.04NC1CCC(C)CC1
OpenEye OEToolkits 1.5.0CC1CCC(CC1)N
Name:cis-4-methylcyclohexanamine
ZINC: ZINC000100004326
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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