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BioLiP

PDB CCD ID: 7IP
Number of entries in BioLiP: 1
Chemical formula: C20 H20 N2 O
InChI: InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22)
InChIKey: AEVBKBAFFJKFJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N
CACTVS 3.341COc1cccc(c1)c2cccc(CCc3cccc(N)n3)c2
ACDLabs 10.04O(c1cccc(c1)c2cccc(c2)CCc3nc(N)ccc3)C
Name:6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE
ChEMBL: CHEMBL221170
DrugBank: DB07245
ZINC: ZINC000011525587
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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