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Summary Geometry Related PDB entries

JJR

Summary

Name:	{8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-(pyridin-3-yl)-1,7-naphthyridin-2-yl}methanol
Formula:	C18 H15 N5 O S
Formal charge:	0
Formula weight:	349.41 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	{8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-(pyridin-3-yl)-1,7-naphthyridin-2-yl}methanol
OpenEye OEToolkits	2.0.7	[8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-pyridin-3-yl-1,7-naphthyridin-2-yl]methanol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(Nc2ncc(c3cccnc3)c3ccc(CO)nc23)cs1
InChI	InChI	1.03	InChI=1S/C18H15N5OS/c1-11-21-16(10-25-11)23-18-17-14(5-4-13(9-24)22-17)15(8-20-18)12-3-2-6-19-7-12/h2-8,10,24H,9H2,1H3,(H,20,23)
InChIKey	InChI	1.03	BBZLVHAGWDSQFM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1scc(Nc2ncc(c3cccnc3)c4ccc(CO)nc24)n1
SMILES	CACTVS	3.385	Cc1scc(Nc2ncc(c3cccnc3)c4ccc(CO)nc24)n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1nc(cs1)Nc2c3c(ccc(n3)CO)c(cn2)c4cccnc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(cs1)Nc2c3c(ccc(n3)CO)c(cn2)c4cccnc4

221716

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