BioLiP

PDB

BioLiP

PDB CCD ID:

LFM

Number of entries in BioLiP:

Chemical formula:

C14 H14 F N3 O2

InChI:

InChI=1S/C14H14FN3O2/c15-11-4-2-10(3-5-11)8-16-13(19)12-9-17-18-6-1-7-20-14(12)18/h2-5,9H,1,6-8H2,(H,16,19)

InChIKey:

GWOXVNOLEPNQGX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F
ACDLabs 12.01	N(Cc1ccc(F)cc1)C(=O)c2cnn3c2OCCC3
CACTVS 3.385	Fc1ccc(CNC(=O)c2cnn3CCCOc23)cc1

Name:

N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

ChEMBL:

CHEMBL4961169

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).