CodeIVB
NameNalfurafine
Synonyms~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-propanamide
Identifier
FormulaC28 H32 N2 O5
Molecular Weight476.564
SMILES
PubChem6445230
Formal Charge0
Total Atoms67
Total Chiral Atoms5
Total Bonds73
Total Aromatic Bonds11
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7YIT A Peptide Opioid KOP Homo Sapiens Nalfurafine - - 3.3 2023-04-12 doi.org/10.1038/s41467-023-37041-7

A 2D representation of the interactions of IVB in 7YIT
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
L:L:?1 R:R:Q115 17.91 1 Yes No 0 7 0 1
L:L:?1 R:R:L135 6.21 1 Yes No 0 4 0 1
L:L:?1 R:R:D138 18.26 1 Yes No 0 6 0 1
L:L:?1 R:R:Y139 18.03 1 Yes Yes 0 5 0 1
L:L:?1 R:R:M142 8.15 1 Yes No 0 7 0 1
L:L:?1 R:R:V230 5.73 1 Yes No 0 5 0 1
L:L:?1 R:R:W287 7.3 1 Yes Yes 0 8 0 1
L:L:?1 R:R:I290 4.57 1 Yes No 0 6 0 1
L:L:?1 R:R:H291 4.94 1 Yes No 0 8 0 1
L:L:?1 R:R:I294 8.23 1 Yes No 0 5 0 1
L:L:?1 R:R:Y312 6.01 1 Yes Yes 0 4 0 1
L:L:?1 R:R:I316 3.66 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y320 13.52 1 Yes Yes 0 6 0 1
R:R:M112 R:R:Y66 4.79 0 Yes Yes 7 6 2 2
R:R:Y313 R:R:Y66 6.95 0 Yes Yes 4 6 2 2
R:R:I316 R:R:Y66 6.04 1 Yes Yes 5 6 1 2
R:R:D138 R:R:T111 8.67 1 No No 6 7 1 2
R:R:T111 R:R:Y320 8.74 1 No Yes 7 6 2 1
R:R:M112 R:R:Y320 15.57 0 Yes Yes 7 6 2 1
R:R:I316 R:R:Q115 9.61 1 Yes No 5 7 1 1
R:R:Q115 R:R:Y320 6.76 1 No Yes 7 6 1 1
R:R:D138 R:R:Y320 3.45 1 No Yes 6 6 1 1
R:R:M142 R:R:Y139 4.79 1 No Yes 7 5 1 1
R:R:A193 R:R:Y139 4 0 No Yes 5 5 2 1
R:R:L212 R:R:Y139 5.86 0 No Yes 4 5 2 1
R:R:M142 R:R:W287 4.65 1 No Yes 7 8 1 1
R:R:F143 R:R:V230 3.93 0 Yes No 6 5 2 1
R:R:F283 R:R:I146 7.54 1 Yes Yes 9 7 2 2
R:R:I146 R:R:W287 7.05 1 Yes Yes 7 8 2 1
R:R:D223 R:R:K227 13.83 0 No No 4 4 2 1
R:R:A298 R:R:K227 4.82 0 No No 4 4 2 1
R:R:F231 R:R:H291 4.53 6 Yes No 5 8 2 1
R:R:F235 R:R:H291 9.05 0 No No 8 8 2 1
R:R:F283 R:R:W287 12.03 1 Yes Yes 9 8 2 1
R:R:F283 R:R:N322 6.04 1 Yes Yes 9 9 2 2
R:R:C286 R:R:W287 3.92 1 No Yes 8 8 2 1
R:R:C286 R:R:N322 4.72 1 No Yes 8 9 2 2
R:R:G319 R:R:W287 4.22 0 No Yes 7 8 2 1
R:R:N322 R:R:W287 14.69 1 Yes Yes 9 8 2 1
R:R:F293 R:R:Y312 7.22 0 No Yes 5 4 2 1
R:R:I294 R:R:Y312 3.63 1 No Yes 5 4 1 1
R:R:E297 R:R:Y312 6.73 0 No Yes 5 4 2 1
R:R:Y312 R:R:Y313 8.94 1 Yes Yes 4 4 1 2
R:R:I316 R:R:Y312 10.88 1 Yes Yes 5 4 1 1
L:L:?1 R:R:K227 1.81 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.88
Average Nodes In Shell33.00
Average Hubs In Shell14.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell41.00
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
9V6O A Peptide Opioid KOP Homo Sapiens Nalfurafine - Gi1/Beta1/Gamma2 2.76 2025-11-19 10.1038/s41467-025-64882-1

A 2D representation of the interactions of IVB in 9V6O
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
L:L:?1 R:R:Q115 16.2 5 Yes No 0 7 0 1
L:L:?1 R:R:L135 4.43 5 Yes Yes 0 7 0 1
L:L:?1 R:R:D138 21.74 5 Yes No 0 6 0 1
L:L:?1 R:R:Y139 18.03 5 Yes No 0 5 0 1
L:L:?1 R:R:M142 7.25 5 Yes No 0 7 0 1
L:L:?1 R:R:V230 3.82 5 Yes No 0 5 0 1
L:L:?1 R:R:W287 6.57 5 Yes Yes 0 8 0 1
L:L:?1 R:R:I290 4.57 5 Yes No 0 6 0 1
L:L:?1 R:R:H291 4.94 5 Yes Yes 0 8 0 1
L:L:?1 R:R:I294 14.63 5 Yes Yes 0 5 0 1
L:L:?1 R:R:Y312 4.51 5 Yes Yes 0 4 0 1
L:L:?1 R:R:I316 3.66 5 Yes Yes 0 5 0 1
L:L:?1 R:R:Y320 11.27 5 Yes Yes 0 6 0 1
R:R:D138 R:R:T111 7.23 0 No No 6 7 1 2
R:R:M112 R:R:Y320 23.95 5 Yes Yes 7 6 2 1
R:R:I316 R:R:Q115 6.86 5 Yes No 5 7 1 1
R:R:Q115 R:R:Y320 7.89 5 No Yes 7 6 1 1
R:R:L135 R:R:Y139 5.86 5 Yes No 7 5 1 1
R:R:C210 R:R:L135 3.17 5 No Yes 9 7 2 1
R:R:F143 R:R:M142 3.73 0 Yes No 6 7 2 1
R:R:M142 R:R:W287 4.65 5 No Yes 7 8 1 1
R:R:F143 R:R:V230 3.93 0 Yes No 6 5 2 1
R:R:F283 R:R:I146 5.02 5 No No 9 7 2 2
R:R:I146 R:R:W287 5.87 5 No Yes 7 8 2 1
R:R:M226 R:R:V230 3.04 0 No No 5 5 2 1
R:R:I294 R:R:K227 5.82 5 Yes No 5 4 1 2
R:R:F231 R:R:F235 5.36 5 Yes Yes 5 8 2 2
R:R:F231 R:R:H291 9.05 5 Yes Yes 5 8 2 1
R:R:F235 R:R:H291 9.05 5 Yes Yes 8 8 2 1
R:R:F283 R:R:W287 11.02 5 No Yes 9 8 2 1
R:R:H291 R:R:W287 7.41 5 Yes Yes 8 8 1 1
R:R:N322 R:R:W287 14.69 0 Yes Yes 9 8 2 1
R:R:I290 R:R:I294 5.89 5 No Yes 6 5 1 1
R:R:C315 R:R:I290 3.27 0 No No 7 6 2 1
R:R:F293 R:R:Y312 8.25 0 No Yes 5 4 2 1
R:R:I294 R:R:Y312 7.25 5 Yes Yes 5 4 1 1
R:R:I316 R:R:Y312 3.63 5 Yes Yes 5 4 1 1
R:R:I316 R:R:Y320 3.63 5 Yes Yes 5 6 1 1
L:L:?1 R:R:S211 1.92 5 Yes No 0 4 0 1
R:R:A193 R:R:L135 1.58 0 No Yes 5 7 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.82
Average Nodes In Shell29.00
Average Hubs In Shell13.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell36.00
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 Links14.00
Average Number Of Links With An Hub6.33
Average Interaction Strength8.84
Average Nodes In Shell30.33
Average Hubs In Shell13.33
Average Links In Shell41.67
Average Links Mediated by Hubs In Shell37.67

missing image


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 🔍)