SEQ2FUN

BioLiP

PDB CCD ID: EK0
Number of entries in BioLiP: 1
Chemical formula: C13 H13 Cl N2
InChI: InChI=1S/C13H13ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h5-8H,1-4H2,(H,15,16)
InChIKey: KVEOBXMMMLVLKY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Clc1ccc(cc1)c2n[nH]c3CCCCc23
ACDLabs 12.01Clc3ccc(c1nnc2c1CCCC2)cc3
OpenEye OEToolkits 1.7.6c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl
Name:3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
ChEMBL: CHEMBL1571228
ZINC: ZINC000004002478
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).