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BioLiP

PDB CCD ID: V0X
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N O
InChI: InChI=1S/C8H9NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2/t7-/m0/s1
InChIKey: PLCGAGSBVAGXMP-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[C@H](CO2)N
CACTVS 3.385N[C@H]1COc2ccccc12
CACTVS 3.385N[CH]1COc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(CO2)N
ACDLabs 12.01NC1COc2ccccc21
Name:(3R)-2,3-dihydro-1-benzofuran-3-amine
ZINC: ZINC000008699618
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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