SRK

4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid

Created:	2020-11-30
Last modified:	2021-08-04

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2 entries where SRK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of SRK

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Chemical Component Summary
Name	4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid
Systematic Name (OpenEye OEToolkits)	4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid
Formula	C₁₂ H₁₃ N O₃
Molecular Weight	219.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CCC(=O)N1CCc2ccccc12
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CCN2C(=O)CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCC(=O)N1CCc2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CCN2C(=O)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C12H13NO3/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,15,16)
InChIKey	InChI	1.03	SWNRXQYQTQVWKA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	730429
ChEMBL	CHEMBL357516

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.