BioLiP

InChI=1S/C10H16ClFN3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6-,8+,10+/m0/s1

InChIKey

KEKPFSDJAHISFV-VBOXYBSHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(P(=O)(O)O)Cl)O)O
OpenEye OEToolkits 2.0.6	C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O
CACTVS 3.385	NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@H](CO[P](O)(=O)O[P](O)(=O)[C@@](F)(Cl)[P](O)(O)=O)O2
ACDLabs 12.01	C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)(P(O)(O)=O)F)=O
CACTVS 3.385	NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[C](F)(Cl)[P](O)(O)=O)O2

Formula

C10 H16 Cl F N3 O12 P3

Name

4-amino-1-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one

ChEMBL

DrugBank

ZINC

PDB chain

6ctu Chain A Residue 404 [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