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BioLiP

PDB CCD ID: 5HQ
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10/h1-5,7H,6,11H2
InChIKey: WEPDEUMTQHBFOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2(c1occc1)ncc(CN)cc2
CACTVS 3.385NCc1ccc(nc1)c2occc2
OpenEye OEToolkits 1.9.2c1cc(oc1)c2ccc(cn2)CN
Name:1-[6-(furan-2-yl)pyridin-3-yl]methanamine
ZINC: ZINC000012370509
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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