SEQ2FUN

BioLiP

PDB CCD ID: SAF
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N O
InChI: InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1
InChIKey: GQZXRLWUYONVCP-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@H](N(C)C)c1cccc(O)c1
OpenEye OEToolkits 1.5.0CC(c1cccc(c1)O)N(C)C
ACDLabs 10.04Oc1cc(ccc1)C(N(C)C)C
OpenEye OEToolkits 1.5.0C[C@@H](c1cccc(c1)O)N(C)C
CACTVS 3.341C[CH](N(C)C)c1cccc(O)c1
Name:3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL
DrugBank: DB04556
ZINC: ZINC000003591018
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).