SEQ2FUN

BioLiP

PDB CCD ID: 1HK
Number of entries in BioLiP: 1
Chemical formula: C19 H18 N2 O2
InChI: InChI=1S/C19H18N2O2/c1-23-18-10-12(7-9-17(18)22)6-8-16-15-11-13-4-2-3-5-14(13)19(15)21-20-16/h2-5,7,9-10,22H,6,8,11H2,1H3,(H,20,21)
InChIKey: FOIYWUMLZWSWIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3
ACDLabs 12.01Oc1ccc(cc1OC)CCc2c4c(nn2)c3ccccc3C4
CACTVS 3.370COc1cc(CCc2[nH]nc3c2Cc4ccccc34)ccc1O
Name:4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol
ZINC: ZINC000095921311
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).