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BioLiP

PDB CCD ID: RJ2
Number of entries in BioLiP: 1
Chemical formula: C17 H17 N3 O
InChI: InChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2
InChIKey: BRUNUGURQIJSRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3
OpenEye OEToolkits 2.0.7c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4
Name:1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
ChEMBL: CHEMBL5085033
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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