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BioLiP

PDB CCD ID: GGJ
Number of entries in BioLiP: 1
Chemical formula: C22 H20 N4 O
InChI: InChI=1S/C22H20N4O/c1-27-19-10-8-14(9-11-19)21-20(22(24)26-25-21)17-6-2-4-15(12-17)16-5-3-7-18(23)13-16/h2-13H,23H2,1H3,(H3,24,25,26)
InChIKey: NUTSYDYCFJFYDE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N
CACTVS 3.385COc1ccc(cc1)c2n[nH]c(N)c2c3cccc(c3)c4cccc(N)c4
ACDLabs 12.01O(C)c1ccc(cc1)c4c(c3cc(c2cccc(c2)N)ccc3)c(nn4)N
Name:4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine
ChEMBL: CHEMBL3804971
ZINC: ZINC000584905557
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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