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BioLiP Library

PDB CCD ID: WRD
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O
InChI: InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1
InChIKey: JGBIMURCUPHILK-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)O)CCCC2N
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)O)CCC[C@H]2N
ACDLabs 12.01NC2CCCc1c(cccc12)O
CACTVS 3.385N[C@@H]1CCCc2c(O)cccc12
CACTVS 3.385N[CH]1CCCc2c(O)cccc12
Name:(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
ZINC: ZINC000034206219
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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