SEQ2FUN

BioLiP

PDB CCD ID: ZVJ
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N O4
InChI: InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1
InChIKey: LSLYOANBFKQKPT-APPDUMDISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(Cc1ccc(cc1)O)NCC(c2cc(cc(c2)O)O)O
OpenEye OEToolkits 2.0.7C[C@@H](Cc1ccc(cc1)O)NC[C@H](c2cc(cc(c2)O)O)O
CACTVS 3.385C[CH](Cc1ccc(O)cc1)NC[CH](O)c2cc(O)cc(O)c2
ACDLabs 12.01Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(O)cc1
CACTVS 3.385C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c2cc(O)cc(O)c2
Name:Fenoterol
ChEMBL: CHEMBL389390
ZINC: ZINC000000057321
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).