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BioLiP

PDB CCD ID: 1OA
Number of entries in BioLiP: 1
Chemical formula: C18 H18 F N5 O2
InChI: InChI=1S/C18H18FN5O2/c19-12-1-3-13(4-2-12)22-18(26)14-10-21-24-16(25)9-15(23-17(14)24)11-5-7-20-8-6-11/h1-4,9-11,20,25H,5-8H2,(H,22,26)
InChIKey: SBDJADVTLNKDBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1cc(nc2n1ncc2C(=O)Nc3ccc(F)cc3)C4CCNCC4
ACDLabs 12.01Fc1ccc(cc1)NC(=O)c2c3nc(cc(O)n3nc2)C4CCNCC4
OpenEye OEToolkits 1.7.6c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F
Name:N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
ChEMBL: CHEMBL2387466
ZINC: ZINC000020855409
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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