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BioLiP

PDB CCD ID: TPA
Number of entries in BioLiP: 2
Chemical formula: C9 H12 N
InChI: InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m1/s1
InChIKey: AELCINSCMGFISI-BDAKNGLRSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CC2[NH3+]
CACTVS 3.341[NH3+][CH]1C[CH]1c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@H]2C[C@@H]2[NH3+]
ACDLabs 10.04c1cccc(c1)C2CC2[NH3+]
CACTVS 3.341[NH3+][C@H]1C[C@@H]1c2ccccc2
Name:TRANS-2-PHENYLCYCLOPROPYLAMINE
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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