B6B

[3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone

Created:	2017-09-19
Last modified:	2018-08-29

Find Related PDB Entry
1 entries where B6B is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	18

2D diagram of B6B

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	[3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
Systematic Name (OpenEye OEToolkits)	[3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
Formula	C₁₇ H₁₅ N₅ O₂
Molecular Weight	321.333
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(N)cc1c2cnc(N)c(n2)C(=O)c3cccnc3
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N
Canonical SMILES	CACTVS	3.385	COc1ccc(N)cc1c2cnc(N)c(n2)C(=O)c3cccnc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N
InChI	InChI	1.03	InChI=1S/C17H15N5O2/c1-24-14-5-4-11(18)7-12(14)13-9-21-17(19)15(22-13)16(23)10-3-2-6-20-8-10/h2-9H,18H2,1H3,(H2,19,21)
InChIKey	InChI	1.03	WJYWQSXTQZIHBX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134812698
ChEMBL	CHEMBL4167484

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.