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BioLiP

PDB CCD ID: 3EY
Number of entries in BioLiP: 1
Chemical formula: C19 H19 F N4 O3
InChI: InChI=1S/C19H19FN4O3/c20-15-9-13(12-1-2-12)3-4-16(15)22-18-14(19(26)23-27-8-7-25)5-6-24-11-21-10-17(18)24/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26)
InChIKey: SXXAGUWDTVENNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO
CACTVS 3.385OCCONC(=O)c1ccn2cncc2c1Nc3ccc(cc3F)C4CC4
ACDLabs 12.01Fc1cc(ccc1Nc2c(ccn3c2cnc3)C(=O)NOCCO)C4CC4
Name:8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
ZINC: ZINC000098208435
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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