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BioLiP

PDB CCD ID: RMA
Number of entries in BioLiP: 2
Chemical formula: C13 H15 N
InChI: InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
InChIKey: CSVGVHNFFZWQJU-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(CC#C)C1CCc2c1cccc2
OpenEye OEToolkits 1.5.0CN(CC#C)[C@@H]1CCc2c1cccc2
CACTVS 3.341CN(CC#C)[CH]1CCc2ccccc12
CACTVS 3.341CN(CC#C)[C@@H]1CCc2ccccc12
ACDLabs 10.04C#CCN(C)C2c1ccccc1CC2
Name:N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE;
N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN
ChEMBL: CHEMBL436947
DrugBank: DB02211
ZINC: ZINC000053275068
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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