BioLiP

InChI=1S/C11H18ClN2O13P3/c1-5-3-14(11(17)13-9(5)16)8-2-6(15)7(26-8)4-25-30(23,24)27-29(21,22)10(12)28(18,19)20/h3,6-8,10,15H,2,4H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,10+/m0/s1

InChIKey

AEQPCMIHLIQHEG-OKJYPTKPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O
OpenEye OEToolkits 2.0.6	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O
ACDLabs 12.01	C1(NC(=O)C(C)=CN1C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)Cl)=O)=O
CACTVS 3.385	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O2)C(=O)NC1=O
CACTVS 3.385	CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)[C@H](Cl)[P](O)(O)=O)O2)C(=O)NC1=O

Formula

C11 H18 Cl N2 O13 P3

Name

5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine

ChEMBL

DrugBank

ZINC

PDB chain

6ctl Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Molecular Function

GO:0003677

DNA binding

GO:0003684

damaged DNA binding

GO:0003887

DNA-directed DNA polymerase activity

GO:0003906

DNA-(apurinic or apyrimidinic site) endonuclease activity

GO:0005515

protein binding

GO:0008017

microtubule binding

GO:0016779

nucleotidyltransferase activity

GO:0016829

lyase activity

GO:0019899

enzyme binding

GO:0034061

DNA polymerase activity

GO:0046872

metal ion binding

GO:0051575

5'-deoxyribose-5-phosphate lyase activity

GO:0140078

class I DNA-(apurinic or apyrimidinic site) endonuclease activity

	Biological Process
GO:0001701	in utero embryonic development
GO:0006259	DNA metabolic process
GO:0006260	DNA replication
GO:0006261	DNA-templated DNA replication
GO:0006281	DNA repair
GO:0006284	base-excision repair
GO:0006287	base-excision repair, gap-filling
GO:0006290	pyrimidine dimer repair
GO:0006297	nucleotide-excision repair, DNA gap filling
GO:0006303	double-strand break repair via nonhomologous end joining
GO:0006915	apoptotic process
GO:0006954	inflammatory response
GO:0006974	DNA damage response
GO:0007435	salivary gland morphogenesis
GO:0008630	intrinsic apoptotic signaling pathway in response to DNA damage
GO:0010332	response to gamma radiation
GO:0016445	somatic diversification of immunoglobulins
GO:0016446	somatic hypermutation of immunoglobulin genes
GO:0045471	response to ethanol
GO:0048535	lymph node development
GO:0048536	spleen development
GO:0048872	homeostasis of number of cells
GO:0051402	neuron apoptotic process
GO:0055093	response to hyperoxia
GO:0071707	immunoglobulin heavy chain V-D-J recombination
GO:0071897	DNA biosynthetic process

Biological Process

GO:0001701

in utero embryonic development

GO:0006259

DNA metabolic process

GO:0006260

DNA replication

GO:0006261

DNA-templated DNA replication

GO:0006281

DNA repair

GO:0006284