SEQ2FUN

BioLiP

PDB CCD ID: OW8
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N3 O
InChI: InChI=1S/C8H11N3O/c1-9-8(12)7-5-3-2-4-6(5)10-11-7/h2-4H2,1H3,(H,9,12)(H,10,11)
InChIKey: TYDCMCXSYOEORK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1n[nH]c2CCCc12
OpenEye OEToolkits 2.0.7CNC(=O)c1c2c([nH]n1)CCC2
Name:~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
ChEMBL: CHEMBL4587912
ZINC: ZINC000040447804

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).