CodeDR7
NameAtazanavir
SynonymsATAZANAVIR; METHYL [(1S,4S,5S,10S)-4-BENZYL-1,10-DI-TERT-BUTYL-5-HYDROXY-2,9,12-TRIOXO-7-(4-PYRIDIN-2-YLBENZYL)-13-OXA-3,7,8,11-TETRAAZATETRADEC-1-YL]CARBAMATE
Identifier
FormulaC38 H52 N6 O7
Molecular Weight704.855
SMILES
PubChem148192
Formal Charge0
Total Atoms103
Total Chiral Atoms4
Total Bonds105
Total Aromatic Bonds19
Networks6
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This ligand is also present in the following 6 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9L80 A Lipid GPR119 GPR119 Homo Sapiens - Atazanavir chim(NtGi1-Gs)/Beta1/Gamma2 3.33 2025-12-31 To be published

A 2D representation of the interactions of DR7 in 9L80
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:R225 W:W:?1 1.73 0 No Yes 6 0 1 0
R:R:V229 W:W:?1 9.22 0 No Yes 7 0 1 0
R:R:G232 W:W:?1 2.44 0 No Yes 5 0 1 0
R:R:L274 R:R:S233 3 0 No No 5 7 1 2
R:R:I278 R:R:S233 3.1 0 Yes No 8 7 1 2
R:R:L274 W:W:?1 1.98 0 No Yes 5 0 1 0
R:R:I278 R:R:Y279 8.46 0 Yes Yes 8 9 1 2
R:R:I278 R:R:W282 2.35 0 Yes Yes 8 7 1 2
R:R:I278 W:W:?1 2.04 0 Yes Yes 8 0 1 0
R:R:S228 W:W:?1 1.43 0 No Yes 7 0 1 0
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub1.00
Average Interaction Strength3.14
Average Nodes In Shell10.00
Average Hubs In Shell4.00
Average Links In Shell10.00
Average Links Mediated by Hubs In Shell9.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9L84 A Amine Adrenergic Beta1 Homo Sapiens Epinephrine Atazanavir Gs/Beta1/Gamma2 3.22 2025-12-31 To be published

A 2D representation of the interactions of DR7 in 9L84
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F387 R:R:L78 9.74 0 Yes No 7 7 1 2
R:R:I328 W:W:?1 14.26 0 No Yes 6 0 1 0
R:R:I375 W:W:?1 12.23 0 No Yes 6 0 1 0
R:R:R379 W:W:?1 15.61 0 No Yes 5 0 1 0
R:R:F383 R:R:F387 7.5 18 Yes Yes 8 7 2 1
R:R:F387 W:W:?1 3.48 0 Yes Yes 7 0 1 0
R:R:A82 R:R:F387 2.77 0 No Yes 8 7 2 1
R:R:G331 W:W:?1 1.63 0 No Yes 6 0 1 0
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub1.00
Average Interaction Strength9.44
Average Nodes In Shell9.00
Average Hubs In Shell3.00
Average Links In Shell8.00
Average Links Mediated by Hubs In Shell8.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9L8L A Amine Adrenergic Beta2 Homo Sapiens BI167107 Atazanavir Gs/Beta1/Gamma2 ; Arrestin2 3.22 2025-12-31 To be published

A 2D representation of the interactions of DR7 in 9L8L
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:K270 R:R:R273 3.71 0 No Yes 7 7 2 1
R:R:R273 V:V:F190 14.97 14 Yes No 7 9 1 2
R:R:R273 V:V:L191 6.07 14 Yes No 7 5 1 1
R:R:R273 W:W:?1 3.47 14 Yes Yes 7 0 1 0
R:R:S276 W:W:?1 7.86 0 No Yes 6 0 1 0
R:R:V277 W:W:?1 4.96 0 No Yes 7 0 1 0
R:R:I325 R:R:T281 4.56 0 No No 8 6 2 1
R:R:T281 W:W:?1 5.61 0 No Yes 6 0 1 0
R:R:L284 W:W:?1 7.9 0 No Yes 5 0 1 0
R:R:F321 R:R:V317 7.87 14 No No 6 5 1 2
R:R:F321 V:V:K195 3.72 14 No Yes 6 7 1 1
R:R:F321 W:W:?1 12.17 14 No Yes 6 0 1 0
V:V:L191 W:W:?1 7.9 14 No Yes 5 0 1 0
V:V:D194 W:W:?1 43.92 0 No Yes 6 0 1 0
V:V:K195 V:V:P196 6.69 14 Yes No 7 6 1 2
V:V:K195 W:W:?1 6.71 14 Yes Yes 7 0 1 0
V:V:K195 V:V:T224 3 14 Yes No 7 9 1 2
V:V:G336 V:V:L191 1.71 0 No No 5 5 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.17
Average Nodes In Shell17.00
Average Hubs In Shell3.00
Average Links In Shell18.00
Average Links Mediated by Hubs In Shell15.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links7.67
Average Number Of Links With An Hub1.67
Average Interaction Strength7.16
Average Nodes In Shell14.00
Average Hubs In Shell4.00
Average Links In Shell15.50
Average Links Mediated by Hubs In Shell13.50

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)