BioLiP

PDB

BioLiP

PDB CCD ID:

M78

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O

InChI:

InChI=1S/C12H14N2O/c1-7-8(2)14-11-5-4-9(6-10(7)11)12(15)13-3/h4-6,14H,1-3H3,(H,13,15)

InChIKey:

UKUPFXPDMYJYSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
OpenEye OEToolkits 2.0.7	Cc1c([nH]c2c1cc(cc2)C(=O)NC)C

Name:

~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide

ZINC:

ZINC000007007377

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).