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BioLiP

PDB CCD ID: UXD
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N3 O
InChI: InChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10)
InChIKey: ZCTYYKNBCKBIMR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(N1CCCC1)c2c[nH]nc2
ACDLabs 12.01n1cc(cn1)C(N2CCCC2)=O
OpenEye OEToolkits 2.0.7c1c(cn[nH]1)C(=O)N2CCCC2
Name:(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
ZINC: ZINC000036164724
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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