BioLiP

PDB

BioLiP

PDB CCD ID:

OVR

Number of entries in BioLiP:

Chemical formula:

C17 H23 N O4

InChI:

InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1

InChIKey:

WTQYWNWRJNXDEG-RBZJEDDUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C2CC(CC1C(C2)O)OC(=O)C(CO)c3ccccc3
OpenEye OEToolkits 2.0.7	CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)c3ccccc3
CACTVS 3.385	CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3
ACDLabs 12.01	CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c1ccccc1
CACTVS 3.385	CN1[CH]2C[CH](O)[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3

Name:

(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate

ChEMBL:

CHEMBL2165224

DrugBank:

DB11785

ZINC:

ZINC000003197739

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).