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BioLiP

PDB CCD ID: C3Z
Number of entries in BioLiP: 1
Chemical formula: C23 H18 N4 O
InChI: InChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26)
InChIKey: XBGRZWVCOXMUCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5
Name:3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol
ChEMBL: CHEMBL3916268
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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