BioLiP

PDB

BioLiP

PDB CCD ID:

6IZ

Number of entries in BioLiP:

Chemical formula:

C23 H18 F N3 O2

InChI:

InChI=1S/C23H18FN3O2/c24-17-9-11-18(12-10-17)25-22(28)23(13-29-14-23)16-7-5-15(6-8-16)21-26-19-3-1-2-4-20(19)27-21/h1-12H,13-14H2,(H,25,28)(H,26,27)

InChIKey:

OLDGOAIEJVEZFL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1nc2ccccc2[NH]1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)C4(COC4)C(=O)Nc5ccc(cc5)F
CACTVS 3.385	Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4[nH]c5ccccc5n4)cc1

Name:

3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-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).