BioLiP

PDB

BioLiP

PDB CCD ID:

O1X

Number of entries in BioLiP:

Chemical formula:

C10 H12 F2 N2 O2

InChI:

InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1

InChIKey:

XVSORZZOZIKMAO-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)C(C)OC(F)F
ACDLabs 12.01	O=C(Nc1cnccc1C)C(C)OC(F)F
CACTVS 3.385	C[CH](OC(F)F)C(=O)Nc1cnccc1C
CACTVS 3.385	C[C@H](OC(F)F)C(=O)Nc1cnccc1C
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)[C@H](C)OC(F)F

Name:

(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide

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).