BioLiP

InChI=1S/C26H35N3O3/c1-16(2)14-29(15-17(3)4)24-11-8-19(21-13-22(21)25(30)31)12-23(24)28-26(32)27-20-9-6-18(5)7-10-20/h6-12,16-17,21-22H,13-15H2,1-5H3,(H,30,31)(H2,27,28,32)/t21-,22-/m1/s1

InChIKey

VZYCPKLOYXSKAB-FGZHOGPDSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@H]3C[C@H]3C(=O)O
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)C3CC3C(=O)O
ACDLabs 12.01	CC(CN(CC(C)C)c1ccc(cc1NC(Nc2ccc(cc2)C)=O)C3C(C(=O)O)C3)C
CACTVS 3.385	CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc2ccc(C)cc2)[CH]3C[CH]3C(O)=O
CACTVS 3.385	CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc2ccc(C)cc2)[C@H]3C[C@H]3C(O)=O

Formula

C26 H35 N3 O3

Name

(1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid

PDB chain

6azv Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Molecular Function

GO:0004833

tryptophan 2,3-dioxygenase activity

GO:0009055

electron transfer activity

GO:0016702

oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen

GO:0020037

heme binding

GO:0033754

indoleamine 2,3-dioxygenase activity

GO:0046872

metal ion binding

GO:0051213

dioxygenase activity

	Biological Process
GO:0002376	immune system process
GO:0002666	positive regulation of T cell tolerance induction
GO:0002678	positive regulation of chronic inflammatory response
GO:0002830	positive regulation of type 2 immune response
GO:0006569	tryptophan catabolic process
GO:0006954	inflammatory response
GO:0007565	female pregnancy
GO:0019441	tryptophan catabolic process to kynurenine
GO:0019805	quinolinate biosynthetic process
GO:0032496	response to lipopolysaccharide
GO:0032693	negative regulation of interleukin-10 production
GO:0032735	positive regulation of interleukin-12 production
GO:0033555	multicellular organismal response to stress
GO:0034276	kynurenic acid biosynthetic process
GO:0034354	'de novo' NAD biosynthetic process from tryptophan
GO:0036269	swimming behavior
GO:0042098	T cell proliferation
GO:0042130	negative regulation of T cell proliferation
GO:0043065	positive regulation of apoptotic process
GO:0046006	regulation of activated T cell proliferation
GO:0070233	negative regulation of T cell apoptotic process
GO:0070234	positive regulation of T cell apoptotic process

Biological Process

GO:0002376

immune system process

GO:0002666

positive regulation of T cell tolerance induction

GO:0002678

positive regulation of chronic inflammatory response

GO:0002830

positive regulation of type 2 immune response

GO:0006569

tryptophan catabolic process

GO:0006954