BioLiP

PDB

BioLiP

PDB CCD ID:

QVL

Number of entries in BioLiP:

Chemical formula:

C11 H11 N7 O

InChI:

InChI=1S/C11H11N7O/c1-6-4-12-9-8(6)3-7(5-13-9)10(19)18(2)11-14-16-17-15-11/h3-5H,1-2H3,(H,12,13)(H,14,15,16,17)

InChIKey:

CHQWAWHCQBTQEW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C(=O)c1cnc2[nH]cc(C)c2c1)c3[nH]nnn3
OpenEye OEToolkits 2.0.7	Cc1c[nH]c2c1cc(cn2)C(=O)N(C)c3[nH]nnn3
ACDLabs 12.01	O=C(N(C)c1nnn[NH]1)c1cc2c(C)c[NH]c2nc1

Name:

N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-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).