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BioLiP

PDB CCD ID: N5D
Number of entries in BioLiP: 1
Chemical formula: C13 H16 N6 O3
InChI: InChI=1S/C13H16N6O3/c1-8-4-11(18-22-8)17-13(21)16-10-5-14-19(6-10)7-12(20)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,20)(H2,16,17,18,21)
InChIKey: FKXAIMDAHQONDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3
ACDLabs 12.01N(c1cn(nc1)CC(NC2CC2)=O)C(Nc3cc(C)on3)=O
CACTVS 3.385Cc1onc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1
Name:N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide
ZINC: ZINC000056342610
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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