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BioLiP Library

PDB CCD ID: 69T
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N3 O2
InChI: InChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18)
InChIKey: AWPPGEGXTUMWMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O
CACTVS 3.385Oc1ccc(Nc2[nH]nc(c2)c3ccc(O)cc3)cc1
ACDLabs 12.01c1(ccc(cc1)O)Nc2cc(nn2)c3ccc(cc3)O
Name:4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol
ChEMBL: CHEMBL3805931
ZINC: ZINC000584904668
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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