BioLiP

PDB

BioLiP

PDB CCD ID:

N1K

Number of entries in BioLiP:

Chemical formula:

C15 H19 N7 O

InChI:

InChI=1S/C15H19N7O/c1-3-4-5-9-22-10-7-11-12(6-8-16-13(11)22)14(23)17-15-18-19-20-21(15)2/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,20,23)

InChIKey:

RKQQAUKWARWVAN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C
OpenEye OEToolkits 2.0.7	CCCCCn1ccc2c1nccc2C(=O)Nc3nnnn3C

Name:

N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-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).