1GK

N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide

Created:	2010-04-28
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where 1GK 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	16

2D diagram of 1GK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	N-(furan-2-ylmethyl)-4-(2-methylphenyl)carbonyl-1H-pyrrole-2-carboxamide
Formula	C₁₈ H₁₆ N₂ O₃
Molecular Weight	308.331
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCc1occc1)c3cc(C(=O)c2ccccc2C)cn3
SMILES	CACTVS	3.370	Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3occc3
SMILES	OpenEye OEToolkits	1.7.0	Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3
Canonical SMILES	CACTVS	3.370	Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3occc3
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3
InChI	InChI	1.03	InChI=1S/C18H16N2O3/c1-12-5-2-3-7-15(12)17(21)13-9-16(19-10-13)18(22)20-11-14-6-4-8-23-14/h2-10,19H,11H2,1H3,(H,20,22)
InChIKey	InChI	1.03	UTEGJWUIPAWNBB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1489193
ChEMBL	CHEMBL1171204

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.