BioLiP

InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1

InChIKey

NLTUCYMLOPLUHL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01	O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O

Formula

C10 H16 N5 O12 P3 S

Name

PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

PDB chain

7pt6 Chain H Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Molecular Function

GO:0004672

protein kinase activity

GO:0004674

protein serine/threonine kinase activity

GO:0005515

protein binding

GO:0005524

ATP binding

GO:0042802

identical protein binding

GO:0044024

histone H2AS1 kinase activity

GO:0046872

metal ion binding

GO:0106310

protein serine kinase activity

	Biological Process
GO:0000727	double-strand break repair via break-induced replication
GO:0001100	negative regulation of exit from mitosis
GO:0006270	DNA replication initiation
GO:0006279	premeiotic DNA replication
GO:0006338	chromatin remodeling
GO:0006468	protein phosphorylation
GO:0007165	signal transduction
GO:0016310	phosphorylation
GO:0031503	protein-containing complex localization
GO:0033314	mitotic DNA replication checkpoint signaling
GO:0051301	cell division
GO:0051321	meiotic cell cycle
GO:0060903	positive regulation of meiosis I
GO:1902977	mitotic DNA replication preinitiation complex assembly
GO:1903343	positive regulation of meiotic DNA double-strand break formation
GO:1904968	positive regulation of spindle attachment to meiosis I kinetochore
GO:1905263	positive regulation of meiotic DNA double-strand break formation involved in reciprocal meiotic recombination
GO:1905342	positive regulation of protein localization to kinetochore
GO:1905561	positive regulation of kinetochore assembly

Biological Process

GO:0000727

double-strand break repair via break-induced replication

GO:0001100

negative regulation of exit from mitosis

GO:0006270

DNA replication initiation

GO:0006279

premeiotic DNA replication

GO:0006338

chromatin remodeling

GO:0006468