SEQ2FUN

BioLiP

PDB CCD ID: SB7
Number of entries in BioLiP: 4
Chemical formula: C10 H15 N O2
InChI: InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
InChIKey: GELOPWXSYZDPJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCN(CO)O
ACDLabs 10.04
CACTVS 3.341		OCN(O)CCCc1ccccc1
Name:[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL;
SB-485345
DrugBank: DB08523
ZINC: ZINC000033821513
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).