BioLiP

PDB

BioLiP

PDB CCD ID:

UOV

Number of entries in BioLiP:

Chemical formula:

C21 H24 N2 O2

InChI:

InChI=1S/C21H24N2O2/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-20(24)23-13-10-21(11-14-23)12-15-25-21/h2-9H,10-15H2,1H3,(H,22,24)

InChIKey:

WYXWIBFERBQYBG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2
ACDLabs 12.01	C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C)cc3)cc4
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4

Name:

N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide

ZINC:

ZINC000097681845

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).