CodeCVV
NameN-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide
Synonyms
Identifier~{N}-[(4~{R},4~{a}~{R},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-9-oxidanyl-2,4,4~{a},7,7~{a},13-hexahydro-1~{H}-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-iodanyl-benzamide
FormulaC27 H27 I N2 O3
Molecular Weight554.419
SMILESc1cc(cc(c1)I)C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O
PubChem131955138
Formal Charge0
Total Atoms60
Total Chiral Atoms5
Total Bonds66
Total Aromatic Bonds12
Networks1
 missing image

This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6B73 A Peptide Opioid KOP Homo sapiens PubChem 131955138 - - 3.1 2018-01-17 10.1016/j.cell.2017.12.011

A 2D representation of the interactions of CVV in 6B73
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:D138 R:R:T111 11.56 1 No No 6 7 1 2
R:R:T111 R:R:Y320 4.99 1 No Yes 7 6 2 1
R:R:M112 R:R:Y320 23.95 0 Yes Yes 7 6 2 1
R:R:I316 R:R:Q115 6.86 1 Yes No 5 7 2 1
R:R:Q115 R:R:Y320 9.02 1 No Yes 7 6 1 1
L:L:?1 R:R:Q115 16.46 1 Yes No 0 7 0 1
R:R:C210 R:R:L135 4.76 2 No No 9 4 2 1
L:L:?1 R:R:L135 6.85 1 Yes No 0 4 0 1
R:R:D138 R:R:Y320 5.75 1 No Yes 6 6 1 1
L:L:?1 R:R:D138 27.69 1 Yes No 0 6 0 1
R:R:V189 R:R:Y139 3.79 0 No No 5 5 2 1
R:R:L212 R:R:Y139 8.21 0 No No 4 5 2 1
L:L:?1 R:R:Y139 18.12 1 Yes No 0 5 0 1
R:R:M142 R:R:W287 6.98 1 No Yes 7 8 1 1
L:L:?1 R:R:M142 12.24 1 Yes No 0 7 0 1
R:R:F283 R:R:I146 10.05 1 Yes No 9 7 2 2
R:R:I146 R:R:W287 9.4 1 No Yes 7 8 2 1
R:R:I294 R:R:K227 4.36 0 No No 5 4 1 2
L:L:?1 R:R:V230 5.53 1 Yes No 0 5 0 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 No 9 9 2 2
R:R:H291 R:R:W287 9.52 1 No Yes 8 8 2 1
R:R:G319 R:R:W287 4.22 0 No Yes 7 8 2 1
R:R:N322 R:R:W287 13.56 1 No Yes 9 8 2 1
L:L:?1 R:R:W287 5.63 1 Yes Yes 0 8 0 1
R:R:I290 R:R:I294 5.89 1 Yes No 6 5 2 1
R:R:I290 R:R:I316 5.89 1 Yes Yes 6 5 2 2
L:L:?1 R:R:I294 9.71 1 Yes No 0 5 0 1
L:L:?1 R:R:Y320 13.05 1 Yes Yes 0 6 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength12.81
Average Nodes In Shell23.00
Average Hubs In Shell7.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell24.00
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 Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength12.81
Average Nodes In Shell23.00
Average Hubs In Shell7.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell24.00

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 🔍)