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BioLiP

PDB CCD ID: 1YZ
Number of entries in BioLiP: 1
Chemical formula: C17 H17 N5 O3
InChI: InChI=1S/C17H17N5O3/c1-2-25-11-7-6-10-4-3-5-14(12(10)8-11)22-9-13(20-17(19)24)15(21-22)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H3,19,20,24)
InChIKey: JGGFBQCPFJAHOH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N
CACTVS 3.385CCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
ACDLabs 12.01O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OCC)cc3
Name:4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
ZINC: ZINC000098208063
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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