SEQ2FUN

BioLiP

PDB CCD ID: K4T
Number of entries in BioLiP: 2
Chemical formula: C14 H15 N3 O
InChI: InChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)
InChIKey: YAWQTWUACTVACS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nc(cc1C(=O)NC2CC2)c3ccccc3
OpenEye OEToolkits 2.0.7Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3
Name:~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
ChEMBL: CHEMBL4574949
ZINC: ZINC000038489010
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).