BioLiP

PDB

BioLiP

PDB CCD ID:

9M7

Number of entries in BioLiP:

Chemical formula:

C23 H28 Cl2 N2 O2

InChI:

InChI=1S/C23H28Cl2N2O2/c1-15-21(22(26-29-15)19-13-12-16(24)14-20(19)25)23(28)27(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-14,17-18H,2-11H2,1H3

InChIKey:

SFPRPAWSWIQRDL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1onc(c2ccc(Cl)cc2Cl)c1C(=O)N(C3CCCCC3)C4CCCCC4
OpenEye OEToolkits 2.0.6	Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4
ACDLabs 12.01	N(C(c1c(C)onc1c2ccc(Cl)cc2Cl)=O)(C3CCCCC3)C4CCCCC4

Name:

N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

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).