SEQ2FUN

BioLiP

PDB CCD ID: A1BXZ
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N4 O S
InChI: InChI=1S/C11H12N4OS/c16-11(8-3-4-13-15-8)12-5-10-14-9(6-17-10)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,12,16)(H,13,15)
InChIKey: JGYUOEDSKCUYRY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C(NCc1nc(cs1)C1CC1)c1cc[NH]n1
OpenEye OEToolkits 3.1.0.0c1c[nH]nc1C(=O)NCc2nc(cs2)C3CC3
CACTVS 3.385O=C(NCc1scc(n1)C2CC2)c3cc[nH]n3
Name:N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
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).