SEQ2FUN

BioLiP

PDB CCD ID: C2J
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N3 O2
InChI: InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)
InChIKey: RXQXACYMRVINQU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O
ACDLabs 12.01c1(ccc(cc1)c4ccc3c(NC(C2CC2)=O)nnc3c4)O
CACTVS 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3c2)NC(=O)C4CC4
Name:N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide
ChEMBL: CHEMBL260163
ZINC: ZINC000013538580
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).