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BioLiP

PDB CCD ID: D3G
Number of entries in BioLiP: 4
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2
InChIKey: LENAVORGWBTPJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2cc(c1oc(cc1)CN)ccc2
OpenEye OEToolkits 1.5.0c1cc(cnc1)c2ccc(o2)CN
CACTVS 3.341NCc1oc(cc1)c2cccnc2
Name:(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
ChEMBL: CHEMBL178090
DrugBank: DB07621
ZINC: ZINC000013607134
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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