SEQ2FUN

BioLiP

PDB CCD ID: 9R9
Number of entries in BioLiP: 8
Chemical formula: C13 H15 Cl N2 O
InChI: InChI=1S/C13H15ClN2O/c14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13/h6-8,17H,1-5H2,(H,15,16)
InChIKey: BMCNEGXEBQNZAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC1(CCCCC1)c2cc(Cl)cc3[nH]ncc23
OpenEye OEToolkits 2.0.6c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl
ACDLabs 12.01C1C(CCCC1)(c3c2cnnc2cc(Cl)c3)O
Name:1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
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).