SEQ2FUN

BioLiP

PDB CCD ID: JHP
Number of entries in BioLiP: 6
Chemical formula: C10 H14 Cl N3 O
InChI: InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKey: AEWMHZKRUKXXFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cc(c(n1)C(=O)NC2CCCC2)Cl
ACDLabs 12.01C2(NC(c1c(cn(C)n1)Cl)=O)CCCC2
CACTVS 3.385Cn1cc(Cl)c(n1)C(=O)NC2CCCC2
Name:4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
ChEMBL: CHEMBL1360349
ZINC: ZINC000000467615
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).