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BioLiP

PDB CCD ID: RM1
Number of entries in BioLiP: 4
Chemical formula: C10 H13 N
InChI: InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
InChIKey: AIXUYZODYPPNAV-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04c1cccc2c1CCC2NC
OpenEye OEToolkits 1.5.0CNC1CCc2c1cccc2
CACTVS 3.341CN[C@@H]1CCc2ccccc12
OpenEye OEToolkits 1.5.0CN[C@@H]1CCc2c1cccc2
CACTVS 3.341CN[CH]1CCc2ccccc12
Name:N-METHYL-1(R)-AMINOINDAN
ChEMBL: CHEMBL1235698
ZINC: ZINC000012505624
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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