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BioLiP

PDB CCD ID: RAS
Number of entries in BioLiP: 6
Chemical formula: C12 H15 N
InChI: InChI=1S/C12H15N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h2-6,12-13H,1,7-9H2/t12-/m1/s1
InChIKey: RPAZWTZFMPXUKS-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C=CCNC1CCc2c1cccc2
ACDLabs 12.01c1cccc2c1CCC2NC/C=C
OpenEye OEToolkits 1.7.6C=CCN[C@@H]1CCc2c1cccc2
CACTVS 3.370C=CCN[CH]1CCc2ccccc12
CACTVS 3.370C=CCN[C@@H]1CCc2ccccc12
Name:(1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine;
RASAGILINE, BOUND FORM
ZINC: ZINC000016051424
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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