BioLiP

PDB

BioLiP

PDB CCD ID:

DZQ

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(Cc1ccc(cc1)OC)NCC(c2cc(cc3c2OCC(=O)N3)O)O
OpenEye OEToolkits 2.0.7	CC(C)(Cc1ccc(cc1)OC)NC[C@@H](c2cc(cc3c2OCC(=O)N3)O)O
CACTVS 3.385	COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1
CACTVS 3.385	COc1ccc(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, 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).