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BioLiP

PDB CCD ID: YDX
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N5 O
InChI: InChI=1S/C9H11N5O/c1-13-6-3-8(12-13)11-9(15)7-14-5-2-4-10-14/h2-6H,7H2,1H3,(H,11,12,15)
InChIKey: DEBBFOBAIIGVSG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccc(NC(=O)Cn2cccn2)n1
OpenEye OEToolkits 2.0.7Cn1ccc(n1)NC(=O)Cn2cccn2
ACDLabs 12.01O=C(Nc1ccn(C)n1)Cn1cccn1
Name:N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide
ZINC: ZINC000032843422
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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