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BioLiP

PDB CCD ID: 35F
Number of entries in BioLiP: 2
Chemical formula: C20 H14 N6 O2
InChI: InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKey: LMDMJDCLPIVGQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C(Nc1cccc(c1)c2n[nH]c3ccc(cc23)c4n[nH]cn4)c5occc5
OpenEye OEToolkits 1.5.0c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5
ACDLabs 10.04O=C(Nc4cc(c3nnc2ccc(c1ncnn1)cc23)ccc4)c5occc5
Name:N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide
ChEMBL: CHEMBL1230051
DrugBank: DB07020
ZINC: ZINC000020149009
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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