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BioLiP

PDB CCD ID: STQ
Number of entries in BioLiP: 4
Chemical formula: C10 H13 N
InChI: InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1
InChIKey: JRZGPXSSNPTNMA-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@H]1CCCc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCC[C@@H]2N
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCCC2N
CACTVS 3.385N[CH]1CCCc2ccccc12
Name:(1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine
ChEMBL: CHEMBL39537
ZINC: ZINC000003861295
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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