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BioLiP

PDB CCD ID: FJ0
Number of entries in BioLiP: 4
Chemical formula: C24 H25 N7 O5
InChI: InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
InChIKey: SJHNWSAWWOAWJH-MRXNPFEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[CH](O)C5)N6CCOCC6
OpenEye OEToolkits 2.0.7Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CCC(C5)O)nc(o4)N6CCOCC6
CACTVS 3.385Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[C@@H](O)C5)N6CCOCC6
OpenEye OEToolkits 2.0.7Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6
Name:2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
ChEMBL: CHEMBL4783351
DrugBank: DB18060
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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