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BioLiP

PDB CCD ID: 1K7
Number of entries in BioLiP: 0
Chemical formula: C13 H20 N2
InChI: InChI=1S/C13H20N2/c14-12(8-11-9-13(11)15)7-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t11-,12-,13+/m1/s1
InChIKey: DRGBFDMHSWJTDJ-UPJWGTAASA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@H](CCc1ccccc1)C[C@@H]2C[C@@H]2N
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N
CACTVS 3.370N[CH](CCc1ccccc1)C[CH]2C[CH]2N
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC(CC2CC2N)N
Name:(1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine
ZINC: ZINC000098207982
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)(download the PDF file).
  • 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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