SEQ2FUN

BioLiP

PDB CCD ID: A07
Number of entries in BioLiP: 1
Chemical formula: C17 H16 Cl N3 O
InChI: InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)
InChIKey: WGVVIVGNBSSANI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3
CACTVS 3.352CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)c3ccccc3
Name:N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
ChEMBL: CHEMBL1095040
ZINC: ZINC000044460266
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).