SEQ2FUN

BioLiP

PDB CCD ID: N5B
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N3 O
InChI: InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
InChIKey: LUCORKWTQSQFFU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc1cc(nn1)C2CC2)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3
CACTVS 3.341O=C(Nc1[nH]nc(c1)C2CC2)c3ccccc3
Name:N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
ChEMBL: CHEMBL324942
DrugBank: DB02647
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).