SEQ2FUN

BioLiP

PDB CCD ID: OGY
Number of entries in BioLiP: 4
Chemical formula: C13 H16 N2 O
InChI: InChI=1S/C13H16N2O/c16-10-12-9-14-13(15-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2,(H,14,15)
InChIKey: YJBVUMXRLPWRCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCc2[nH]cc(n2)CO
CACTVS 3.385OCc1c[nH]c(CCCc2ccccc2)n1
ACDLabs 12.01c1(ccccc1)CCCc2ncc(CO)n2
Name:[2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol
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).