EB5

N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide

Created:	2015-07-29
Last modified:	2016-01-13

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1 entries where EB5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	11

2D diagram of EB5

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Chemical Component Summary
Name	N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
Systematic Name (OpenEye OEToolkits)	N,1-diethyl-2-oxidanylidene-benzo[cd]indole-6-sulfonamide
Formula	C₁₅ H₁₆ N₂ O₃ S
Molecular Weight	304.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCNS(=O)(c2ccc1N(C(c3c1c2ccc3)=O)CC)=O
SMILES	CACTVS	3.385	CCN[S](=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
SMILES	OpenEye OEToolkits	1.9.2	CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC
Canonical SMILES	CACTVS	3.385	CCN[S](=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC
InChI	InChI	1.03	InChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3
InChIKey	InChI	1.03	AQNBGQLJCYVCBR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15944463
ChEMBL	CHEMBL3780093

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.