SEQ2FUN

BioLiP

PDB CCD ID: HHV
Number of entries in BioLiP: 6
Chemical formula: C10 H11 N5 O
InChI: InChI=1S/C10H11N5O/c11-9(16)8-6-14-15-10(8)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,16)(H2,13,14,15)
InChIKey: LBLVYSJDBWSBHZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N
CACTVS 3.352NC(=O)c1cn[nH]c1NCc2cccnc2
ACDLabs 11.02O=C(c2c(NCc1cccnc1)nnc2)N
Name:5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide
ZINC: ZINC000004344030
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).