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BioLiP Library

PDB CCD ID: 8JM
Number of entries in BioLiP: 2
Chemical formula: C20 H18 N4 O
InChI: InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKey: ZHYXJQQBKROZDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4
CACTVS 3.385CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc4[nH]ncc4c3
ACDLabs 12.01c3(ncc(c1cc2c(cc1)nnc2)c(CC)c3c4ccc(cc4)O)N
Name:4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol
ChEMBL: CHEMBL4076247
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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