BioLiP

PDB

BioLiP

PDB CCD ID:

A1BN1

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O2

InChI:

InChI=1S/C15H15N3O2/c1-10-7-11(20-17-10)8-16-15(19)13-9-18(2)14-6-4-3-5-12(13)14/h3-7,9H,8H2,1-2H3,(H,16,19)

InChIKey:

RYIGIXMEYULONZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc(C(=O)NCc2onc(C)c2)c3ccccc13
OpenEye OEToolkits 3.1.0.0	Cc1cc(on1)CNC(=O)c2cn(c3c2cccc3)C
ACDLabs 14.52	Cc1cc(CNC(=O)c2cn(C)c3ccccc32)on1

Name:

1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1H-indole-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).