BioLiP

PDB

BioLiP

PDB CCD ID:

LI3

Number of entries in BioLiP:

Chemical formula:

C19 H18 F N3 O2

InChI:

InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)

InChIKey:

VMLSXFMXUNVCSK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Fc1cc(cc(c1)C(=O)Nc2ccc3[nH]ccc3c2)N4CCOCC4
ACDLabs 10.04	O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4CCOCC4
OpenEye OEToolkits 1.5.0	c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4

Name:

3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE

ChEMBL:

CHEMBL195450

DrugBank:

DB08092

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).