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BioLiP

PDB CCD ID: ZSY
Number of entries in BioLiP: 1
Chemical formula: C19 H17 N3 O3
InChI: InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23)
InChIKey: VTYIZPVGHMMFAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4
ACDLabs 12.01O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1
OpenEye OEToolkits 2.0.7c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4
Name:N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
ZINC: ZINC000071839240
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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