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BioLiP

PDB CCD ID: 56T
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N O
InChI: InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
InChIKey: ZQSLNSHMUQXSQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(oc1)CCN
CACTVS 3.385NCCc1occc1
ACDLabs 12.01c1c(CCN)occ1
Name:2-(furan-2-yl)ethanamine
ChEMBL: CHEMBL4552984
ZINC: ZINC000000873698
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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