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Summary Geometry Related PDB entries

A1JT6

Summary

Name:	Glumetinib
Synonyms:	6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-pyrazolo[4,3-b]pyridine
Formula:	C21 H17 N9 O2 S
Formal charge:	0
Formula weight:	459.484 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-pyrazolo[4,3-b]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C21H17N9O2S/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17/h3-13H,1-2H3
InChIKey	InChI	1.06	RYBLECYFLJXEJX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(cn1)c2ccc3ncc(n3c2)[S](=O)(=O)n4ncc5ncc(cc45)c6cnn(C)c6
SMILES	CACTVS	3.385	Cn1cc(cn1)c2ccc3ncc(n3c2)[S](=O)(=O)n4ncc5ncc(cc45)c6cnn(C)c6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cc(cn1)c2ccc3ncc(n3c2)S(=O)(=O)n4c5cc(cnc5cn4)c6cnn(c6)C
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(cn1)c2ccc3ncc(n3c2)S(=O)(=O)n4c5cc(cnc5cn4)c6cnn(c6)C

250359

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