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BioLiP

PDB CCD ID: H9K
Number of entries in BioLiP: 1
Chemical formula: C22 H16 N2 O2
InChI: InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
InChIKey: YHNRFNJYCLUDHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O
ACDLabs 12.01Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4ccc(O)cc4C5
CACTVS 3.370Oc1ccc(cc1)c2ccc(cc2)c3[nH]nc4c3Cc5cc(O)ccc45
Name:3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol
ChEMBL: CHEMBL391449
ZINC: ZINC000028822258
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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