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BioLiP

PDB CCD ID: M0Y
Number of entries in BioLiP: 2
Chemical formula: C15 H13 N5 O2
InChI: InChI=1S/C15H13N5O2/c16-14(21)13-11(18-15(17)22)8-20(19-13)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,21)(H3,17,18,22)
InChIKey: CJQCPTLUHOGRQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N
ACDLabs 12.01O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cccc3
CACTVS 3.385NC(=O)Nc1cn(nc1C(N)=O)c2cccc3ccccc23
Name:4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide
ZINC: ZINC000098209146
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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