BioLiP

InChI=1S/C33H42Cl2N8O4/c1-19(2)15-26(40-33(36)37)32(46)38-17-29(45)43-13-11-22(12-14-43)27-16-25(41-42(27)4)24-9-10-28(31(35)30(24)34)47-18-21-5-7-23(8-6-21)39-20(3)44/h5-10,16,19,22,26H,11-15,17-18H2,1-4H3,(H,38,46)(H,39,44)(H4,36,37,40)/t26-/m1/s1

InChIKey

VCXMTWSYQSVWRK-AREMUKBSSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N
ACDLabs 10.04	O=C(Nc1ccc(cc1)COc4ccc(c2nn(c(c2)C3CCN(C(=O)CNC(=O)C(NC(=[N@H])N)CC(C)C)CC3)C)c(Cl)c4Cl)C
CACTVS 3.341	CC(C)C[CH](NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc4ccc(NC(C)=O)cc4)c(Cl)c3Cl
CACTVS 3.341	CC(C)C[C@@H](NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc4ccc(NC(C)=O)cc4)c(Cl)c3Cl
OpenEye OEToolkits 1.5.0	CC(C)CC(C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N

Formula

C33 H42 Cl2 N8 O4

Name

2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE;
SP4160

PDB chain

1qvn 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