UCSF

ZINC12495265

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 30 No

Popular Name: DATP DATP

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1927-31-7 , 74299-50-6 , [1927-31-7] , [74299-50-6]

Other Names:

(((2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid

({[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

1927-31-7; 2'-Deoxyadenosine 5'-triphosphate; C00131; Deoxyadenosine 5'-triphosphate; Deoxyadenosine triphosphate; dATP

1927-31-7; 2'-deoxyATP; 2'-deoxyadenosine triphosphate; 2'-deoxyadenosine-5'-triphosphate; dATP; deoxy-ATP; deoxyadenosine-triphosphate

2'-Datp; 2'-Deoxyadenosine 5'-(tetrahydrogen triphosphate); 2'-Deoxyadenosine triphosphate; Adenosine, 2'-deoxy-, 5'-(tetrahydrogen triphosphate); Adenosine, 5'-(tetrahydrogen triphosphate), 2'-deoxy-; BRN 0071964; DATP; Deoxy-atp; Deoxyadenosine 5'-triph

2'-Deoxy-5'-ATP; 2'-Deoxy-ATP; 2'-Deoxyadenosine 5'-triphosphate; 2'-deoxyadenosine triphosphate; Deoxy-ATP; Deoxyadenosine 5'-triphosphate; Deoxyadenosine triphosphate; deoxyadenosine-triphosphate

2'-Deoxy-5'-ATP; 2'-Deoxy-ATP; 2'-Deoxyadenosine 5'-triphosphate; 2'-Deoxyadenosine triphosphate; Deoxy-ATP; Deoxyadenosine 5'-triphosphate; Deoxyadenosine triphosphate; Deoxyadenosine-triphosphate; dATP

2'-Deoxy-5'-ATP;2'-Deoxy-ATP;2'-Deoxyadenosine 5'-triphosphate;2'-Deoxyadenosine triphosphate;dATP;Deoxy-ATP;Deoxyadenosine 5'-triphosphate;Deoxyadenosine triphosphate;Deoxyadenosine-triphosphate

2'-Deoxy-5'-ATP;2'-Deoxy-ATP;2'-Deoxyadenosine 5'-triphosphate;2'-Deoxyadenosine triphosphate;Deoxy-ATP;Deoxyadenosine 5'-triphosphate;Deoxyadenosine triphosphate;Deoxyadenosine-triphosphate;dATP

2'-Deoxyadenosine 5'-triphosphate

2'-Deoxyadenosine 5'-triphosphate disodium salt

2'-deoxyadenosine 5'-triphosphate; 2'-deoxyadenosine 5'-triphosphate tetraanion; 2'-deoxyadenosine 5'-triphosphate(4-); dATP; dATP tetraanion

2'-Deoxyadenosine-5'-triphosphate

2'-Deoxyadenosine-5'-triphosphate disodium salt

2'-Deoxyadenosine-5'-triphosphate trisodium

2'-Deoxyadenosine-5'-triphosphate trisodium salt

2'-Deoxyadenosine-5'-triphosphate,Disodium Salt

2-deoxyadenosine 5-triphosphate; 2'-Deoxy-5'-ATP; 2'-Deoxy-ATP; 2'-Deoxyadenosine 5'-triphosphate; 2'-deoxyadenosine triphosphate; dATP; Deoxy-ATP; deoxyadenosine 5-triphosphate; Deoxyadenosine 5'-triphosphate; deoxyadenosine triphosphate; deoxyadenosine-

CHEBI:19238; CHEBI:42290; CHEBI:10491; CHEBI:14069

dATP trianion

dATP(3-)

dATP(4-)

Datp,disodium salt,trihydrate

Deoxyadenosine triphosphate

MFCD00080335

MFCD00150757

Sodium ((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate

SS-9892

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 8ODP_HUMAN; 8ODP_MOUSE; 8ODP_RAT; ADA_MOUSE; APAF_CANFA; APAF_DANRE; APAF_HUMAN; APAF_MOUSE; APAF_RAT; CAS3_STRTR; CDA_MYROD; DCK_BACSU; DCTP1_BOVIN; DCTP1_HUMAN; DCTP1_MOUSE; DCTP1_RAT; DDX11_HUMAN; DDX11_MOUSE; DGK1_LACAC; DGK1_LACJO; DGK2_LACAC; DGK2_L ChEBI
PUBCHEM_PATENT_ID EP0233838A2; EP0254249A1; EP0263072A2; EP0684312A3; EP0684312B1; EP0816491A1; EP0827964A2; EP0827964A3; US5198350; US5350687; US5466585; US5656596; US5702920; US5739290; US5869264; WO1994017809A1 IBM Patent Data
Patent Database Links EP1806400; US2007224611 ChEBI
Reactome Database Links REACT_1781; REACT_21273; REACT_21292; REACT_21362; REACT_21416; REACT_7985; REACT_8004; REACT_8019; REACT_8029; REACT_9039; REACT_91 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2Y11-1-E Purinergic Receptor P2Y11 (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2Y11_HUMAN Q96G91 Purinergic Receptor P2Y11, Human 9000 0.24 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
5-Phosphoribose 1-diphosphate biosynthesis
Assembly of telomerase and telomere extension
DNA replication initiation
Minus-strand DNA synthesis
Mismatch repair (MMR) directed by MSH2:MSH3 (MutSbeta)
Mismatch repair (MMR) directed by MSH2:MSH6 (MutSalpha)
Processive synthesis on the C-strand of the telomere
Synthesis and interconversion of nucleotide di- and triphosphates
Telomere C-strand synthesis initiation
Telomere Extension By Telomerase

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
P2Y receptors

Analogs ( Draw Identity 99% 90% 80% 70% )