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BioLiP

PDB CCD ID: LCJ
Number of entries in BioLiP: 7
Chemical formula: C16 H14 F I N4 O3
InChI: InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
InChIKey: RFWVETIZUQEJEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO
ACDLabs 12.01c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I
CACTVS 3.385OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F
Name:5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
ChEMBL: CHEMBL3330650
DrugBank: DB11982
ZINC: ZINC000043206499
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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