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BioLiP Library

PDB CCD ID: W0N
Number of entries in BioLiP: 1
Chemical formula: C10 H17 N3 O
InChI: InChI=1S/C10H17N3O/c1-4-6-10(2,3)12-9(14)8-5-7-11-13-8/h5,7H,4,6H2,1-3H3,(H,11,13)(H,12,14)
InChIKey: CQQPSLDLWYXHKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCC(C)(C)NC(=O)c1cc[nH]n1
ACDLabs 12.01O=C(NC(C)(C)CCC)c1cc[NH]n1
Name:N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
ZINC: ZINC000065415457
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)(download the PDF file).
  • 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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