BioLiP

PDB

BioLiP

PDB CCD ID:

YFY

Number of entries in BioLiP:

Chemical formula:

C19 H25 N3 O3

InChI:

InChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1

InChIKey:

OIIKHSCLQXVMOG-RDTXWAMCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)C1CCCNC1C(=O)Nc2ccc(c(c2)OC)c3cnco3
CACTVS 3.385	COc1cc(NC(=O)[C@@H]2NCCC[C@@H]2C(C)C)ccc1c3ocnc3
CACTVS 3.385	COc1cc(NC(=O)[CH]2NCCC[CH]2C(C)C)ccc1c3ocnc3
ACDLabs 12.01	COc2cc(ccc2c1cnco1)NC(=O)C3C(C(C)C)CCCN3
OpenEye OEToolkits 2.0.7	CC(C)[C@H]1CCCN[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3

Name:

(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide

ChEMBL:

CHEMBL4871177

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).