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BioLiP

PDB CCD ID: RKH
Number of entries in BioLiP: 2
Chemical formula: C14 H13 N3 O
InChI: InChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17)
InChIKey: BMBIGEJCNXQYPN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N
CACTVS 3.385Cc1oc2ccc(cc2c1)c3cc(N)nc(N)c3
Name:4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
ChEMBL: CHEMBL5094822
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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