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BioLiP

PDB CCD ID: 1Y5
Number of entries in BioLiP: 2
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-/m1/s1
InChIKey: JRZGPXSSNPTNMA-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CCC[C@H]2N
ACDLabs 12.01
OpenEye OEToolkits 1.7.6		c1ccc2c(c1)CCCC2N
CACTVS 3.385N[CH]1CCCc2ccccc12
CACTVS 3.385N[C@@H]1CCCc2ccccc12
Name:(1R)-1,2,3,4-tetrahydronaphthalen-1-amine
ChEMBL: CHEMBL289966
ZINC: ZINC000003861296
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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