BioLiP

PDB

BioLiP

PDB CCD ID:

N7L

Number of entries in BioLiP:

Chemical formula:

C11 H13 F N2 O

InChI:

InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1

InChIKey:

TYFFVSFZMUBUOV-DTWKUNHWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccncc1NC(=O)[CH]2C[CH]2CF
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)C2CC2CF
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)[C@@H]2C[C@H]2CF
ACDLabs 12.01	O=C(Nc1cnccc1C)C1CC1CF

Name:

(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-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).