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BioLiP

PDB CCD ID: DZQ
Number of entries in BioLiP: 1
Chemical formula: C21 H26 N2 O5
InChI: InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKey: COUYJEVMBVSIHV-SFHVURJKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(Cc1ccc(cc1)OC)NCC(c2cc(cc3c2OCC(=O)N3)O)O
OpenEye OEToolkits 2.0.7CC(C)(Cc1ccc(cc1)OC)NC[C@@H](c2cc(cc3c2OCC(=O)N3)O)O
CACTVS 3.385COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1
CACTVS 3.385COc1ccc(CC(C)(C)NC[CH](O)c2cc(O)cc3NC(=O)COc23)cc1
Name:Olodaterol;
868049-49-4
ChEMBL: CHEMBL605846
DrugBank: DB09080
ZINC: ZINC000034636383
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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