BioLiP

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●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB

BioLiP

PDB CCD ID:

IWU

Number of entries in BioLiP:

Chemical formula:

C5 H3 Br N4

InChI:

InChI=1S/C5H3BrN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10)

InChIKey:

YKWWQNVTTSHHGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1cnc2[nH]nnc2c1
OpenEye OEToolkits 2.0.7	c1c(cnc2c1nn[nH]2)Br

Name:

6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine

ChEMBL:

CHEMBL5206363

ZINC:

ZINC000019857217

Reference:

Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).

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).

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