BioLiP

InChI=1S/C30H35N5O6/c1-41-29(40)24(34-25(36)15-20-4-3-13-35(17-20)30(31)32)14-19-9-7-18(8-10-19)11-12-21-5-2-6-22-23(16-33-26(21)22)27(37)28(38)39/h2,5-10,16,20,24,33H,3-4,11-15,17H2,1H3,(H3,31,32)(H,34,36)(H,38,39)/t20-,24+/m1/s1

InChIKey

YRVAENMKEUHMEX-YKSBVNFPSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C1)Cc2ccc(cc2)CCc3cccc4c3ncc4C(=O)C(=O)O
OpenEye OEToolkits 1.5.0	[H]N=C(N)N1CCCC(C1)CC(=O)NC(Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC
OpenEye OEToolkits 1.5.0	[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC
CACTVS 3.341	COC(=O)[CH](Cc1ccc(CCc2cccc3c2[nH]cc3C(=O)C(O)=O)cc1)NC(=O)C[CH]4CCCN(C4)C(N)=N
CACTVS 3.341	COC(=O)[C@H](Cc1ccc(CCc2cccc3c2[nH]cc3C(=O)C(O)=O)cc1)NC(=O)C[C@H]4CCCN(C4)C(N)=N

Formula

C30 H35 N5 O6

Name

2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER

PDB chain

1m49 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Molecular Function

GO:0005125

cytokine activity

GO:0005134

interleukin-2 receptor binding

GO:0005515

protein binding

GO:0008083

growth factor activity

GO:0019209

kinase activator activity

GO:0030246

carbohydrate binding

GO:0031851

kappa-type opioid receptor binding

GO:0043208

glycosphingolipid binding

	Biological Process
GO:0002250	adaptive immune response
GO:0002366	leukocyte activation involved in immune response
GO:0002639	positive regulation of immunoglobulin production
GO:0002903	negative regulation of B cell apoptotic process
GO:0006366	transcription by RNA polymerase II
GO:0006955	immune response
GO:0007155	cell adhesion
GO:0007186	G protein-coupled receptor signaling pathway
GO:0007204	positive regulation of cytosolic calcium ion concentration
GO:0007267	cell-cell signaling
GO:0008284	positive regulation of cell population proliferation
GO:0010467	gene expression
GO:0030101	natural killer cell activation
GO:0030217	T cell differentiation
GO:0030307	positive regulation of cell growth
GO:0030890	positive regulation of B cell proliferation
GO:0032729	positive regulation of type II interferon production
GO:0032740	positive regulation of interleukin-17 production
GO:0034105	positive regulation of tissue remodeling
GO:0038110	interleukin-2-mediated signaling pathway
GO:0042098	T cell proliferation
GO:0042102	positive regulation of T cell proliferation
GO:0042104	positive regulation of activated T cell proliferation
GO:0043066	negative regulation of apoptotic process
GO:0045471	response to ethanol
GO:0045582	positive regulation of T cell differentiation
GO:0045591	positive regulation of regulatory T cell differentiation
GO:0045944	positive regulation of transcription by RNA polymerase II
GO:0046013	regulation of T cell homeostatic proliferation
GO:0046651	lymphocyte proliferation
GO:0048304	positive regulation of isotype switching to IgG isotypes
GO:0050672	negative regulation of lymphocyte proliferation
GO:0050728	negative regulation of inflammatory response
GO:0050729	positive regulation of inflammatory response
GO:0050798	activated T cell proliferation
GO:0060999	positive regulation of dendritic spine development
GO:0097192	extrinsic apoptotic signaling pathway in absence of ligand
GO:0097696	cell surface receptor signaling pathway via STAT
GO:1900100	positive regulation of plasma cell differentiation
GO:1901327	response to tacrolimus
GO:2000320	negative regulation of T-helper 17 cell differentiation
GO:2000561	regulation of CD4-positive, alpha-beta T cell proliferation

Biological Process

GO:0002250

adaptive immune response

GO:0002366

leukocyte activation involved in immune response

GO:0002639

positive regulation of immunoglobulin production

GO:0002903

negative regulation of B cell apoptotic process

GO:0006366

transcription by RNA polymerase II

GO:0006955