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BDBM50480766 2''-Deoxycytidine 5''-Triphosphate::CHEBI:16311::DEOXYCYTIDINE TRIPHOSPHATE::Deoxycytidine Triphosphate

SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1

InChI Key: InChIKey=RGWHQCVHVJXOKC-SHYZEUOFSA-N

Data: 5 Kd

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50480766   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50480766
PNG
(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.10E+3n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 reverse transcriptase


Antimicrob Agents Chemother 53: 3715-9 (2009)


Article DOI: 10.1128/aac.00392-09
BindingDB Entry DOI: 10.7270/Q2KD21R2
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50480766
PNG
(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.14E+3n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to wild type HIV1 LAI reverse transcriptase


Antimicrob Agents Chemother 52: 157-63 (2008)


Article DOI: 10.1128/aac.00904-07
BindingDB Entry DOI: 10.7270/Q2CV4MK7
More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50480766
PNG
(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
PDB
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UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.49E+3n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 LAI reverse transcriptase M184V mutant


Antimicrob Agents Chemother 52: 157-63 (2008)


Article DOI: 10.1128/aac.00904-07
BindingDB Entry DOI: 10.7270/Q2CV4MK7
More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50480766
PNG
(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.99E+3n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V mutant


Antimicrob Agents Chemother 52: 157-63 (2008)


Article DOI: 10.1128/aac.00904-07
BindingDB Entry DOI: 10.7270/Q2CV4MK7
More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50480766
PNG
(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.23E+3n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y mutant


Antimicrob Agents Chemother 52: 157-63 (2008)


Article DOI: 10.1128/aac.00904-07
BindingDB Entry DOI: 10.7270/Q2CV4MK7
More data for this
Ligand-Target Pair