CodeVFD
NameOlodanrigan
SynonymsEMA401; (3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Identifier(3~{S})-2-(2,2-diphenylethanoyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1~{H}-isoquinoline-3-carboxylic acid
FormulaC32 H29 N O5
Molecular Weight507.576
SMILESCOc1ccc2c(c1OCc3ccccc3)C[C@H](N(C2)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O
PubChem9937291
Formal Charge0
Total Atoms67
Total Chiral Atoms1
Total Bonds71
Total Aromatic Bonds24
Networks1
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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
7JNI A Peptide Angiotensin AT2 Homo sapiens Olodanrigan - - 3 2022-02-09 10.1073/pnas.2116289119

A 2D representation of the interactions of VFD in 7JNI
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:I47 R:R:Y51 4.84 7 Yes Yes 5 7 2 1
R:R:L97 R:R:Y51 4.69 0 No Yes 8 7 2 1
R:R:L305 R:R:Y51 11.72 0 No Yes 5 7 2 1
L:L:?1 R:R:Y51 4.99 1 Yes Yes 0 7 0 1
R:R:L93 R:R:M128 7.07 0 No Yes 7 7 2 1
R:R:F308 R:R:L93 3.65 1 Yes No 7 7 1 2
R:R:T96 R:R:W100 8.49 1 No Yes 7 7 2 1
R:R:L124 R:R:T96 4.42 1 Yes No 6 7 1 2
R:R:F308 R:R:L97 17.05 1 Yes No 7 8 1 2
R:R:L99 R:R:W100 5.69 0 No Yes 6 7 2 1
R:R:W100 R:R:W110 4.69 1 Yes Yes 7 9 1 2
R:R:L124 R:R:W100 6.83 1 Yes Yes 6 7 1 1
L:L:?1 R:R:W100 13.87 1 Yes Yes 0 7 0 1
R:R:Y103 R:R:Y108 11.91 1 Yes No 5 5 1 2
R:R:W110 R:R:Y103 9.65 1 Yes Yes 9 5 2 1
R:R:C195 R:R:Y103 4.03 1 No Yes 9 5 2 1
L:L:?1 R:R:Y103 4.99 1 Yes Yes 0 5 0 1
R:R:C195 R:R:W110 7.84 1 No Yes 9 9 2 2
R:R:F308 R:R:L124 4.87 1 Yes Yes 7 6 1 1
L:L:?1 R:R:L124 11.79 1 Yes Yes 0 6 0 1
R:R:F129 R:R:T125 3.89 1 Yes Yes 7 4 1 1
R:R:T125 R:R:T178 7.85 1 Yes No 4 5 1 2
L:L:?1 R:R:T125 6.28 1 Yes Yes 0 4 0 1
R:R:I132 R:R:M128 4.37 1 No Yes 8 7 2 1
R:R:M128 R:R:W269 8.14 1 Yes Yes 7 9 1 1
L:L:?1 R:R:M128 10.33 1 Yes Yes 0 7 0 1
R:R:F129 R:R:F133 9.65 1 Yes No 7 6 1 2
R:R:F129 R:R:S174 10.57 1 Yes No 7 5 1 2
L:L:?1 R:R:F129 10.38 1 Yes Yes 0 7 0 1
R:R:I132 R:R:W269 3.52 1 No Yes 8 9 2 1
R:R:R182 R:R:T178 5.17 0 No No 5 5 1 2
R:R:M197 R:R:R182 11.17 2 No No 4 5 2 1
L:L:?1 R:R:R182 13.31 1 Yes No 0 5 0 1
L:L:?1 R:R:K215 8.58 1 Yes No 0 4 0 1
R:R:F265 R:R:W269 7.02 1 No Yes 9 9 2 1
R:R:H273 R:R:W269 5.29 0 Yes Yes 8 9 2 1
R:R:G307 R:R:W269 8.44 0 No Yes 8 9 2 1
R:R:N310 R:R:W269 5.65 0 No Yes 9 9 2 1
L:L:?1 R:R:W269 6.93 1 Yes Yes 0 9 0 1
R:R:F272 R:R:H273 10.18 0 No Yes 6 8 1 2
R:R:F272 R:R:T276 10.38 0 No No 6 6 1 2
L:L:?1 R:R:F272 11.86 1 Yes No 0 6 0 1
L:L:?1 R:R:I304 6.08 1 Yes No 0 5 0 1
L:L:?1 R:R:F308 5.93 1 Yes Yes 0 7 0 1
R:R:S175 R:R:T125 3.2 0 No Yes 6 4 2 1
R:R:I304 R:R:L300 2.85 0 No No 5 4 1 2
L:L:?1 R:R:G121 2.08 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub9.00
Average Interaction Strength8.39
Average Nodes In Shell36.00
Average Hubs In Shell13.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell43.00
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 Hub9.00
Average Interaction Strength8.39
Average Nodes In Shell36.00
Average Hubs In Shell13.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell43.00

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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 🔍)