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BioLiP

PDB CCD ID: GQR
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N
InChI: InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1
InChIKey: XJEVHMGJSYVQBQ-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CC[C@@H]2N
CACTVS 3.385N[C@H]1CCc2ccccc12
CACTVS 3.385N[CH]1CCc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCC2N
Name:(1~{S})-2,3-dihydro-1~{H}-inden-1-amine
ZINC: ZINC000001484813
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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