Code8EM
NameN-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide
Synonyms
Identifier~{N}-(furan-2-ylmethyl)-~{N}-[4-oxidanylidene-2-propyl-3-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide
FormulaC37 H31 N7 O3
Molecular Weight621.687
SMILESCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7
PubChem126456406
Formal Charge0
Total Atoms78
Total Chiral Atoms0
Total Bonds84
Total Aromatic Bonds34
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
5UNH A Peptide Angiotensin AT2 Homo sapiens PubChem 126456406 - - 2.9 2017-04-05 10.1038/nature22035

A 2D representation of the interactions of 8EM in 5UNH
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:L97 R:R:Y51 4.69 0 Yes Yes 8 7 2 2
R:R:I304 R:R:Y51 3.63 0 No Yes 5 7 1 2
R:R:F308 R:R:L93 4.87 0 No No 7 7 1 2
R:R:T96 R:R:W100 8.49 0 No No 7 7 2 1
R:R:F308 R:R:L97 15.83 0 No Yes 7 8 1 2
R:R:L124 R:R:W100 11.39 1 No No 6 7 1 1
L:L:?1 R:R:W100 14.49 1 Yes No 0 7 0 1
R:R:Y103 R:R:Y108 8.94 1 Yes No 5 5 1 1
R:R:W110 R:R:Y103 2.89 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 5.59 1 Yes Yes 0 5 0 1
R:R:Y104 R:R:Y108 2.98 1 Yes No 5 5 2 1
L:L:?1 R:R:Y108 3.73 1 Yes No 0 5 0 1
R:R:C195 R:R:W110 9.14 1 No Yes 9 9 2 2
R:R:S122 R:R:T178 3.2 0 No No 6 5 2 1
L:L:?1 R:R:L124 11.74 1 Yes No 0 6 0 1
R:R:S175 R:R:T125 3.2 0 No No 6 4 2 1
R:R:T125 R:R:T178 10.99 1 No No 4 5 1 1
L:L:?1 R:R:T125 10.94 1 Yes No 0 4 0 1
R:R:F129 R:R:M128 7.46 0 No Yes 7 7 2 1
R:R:I132 R:R:M128 4.37 0 No Yes 8 7 2 1
R:R:M128 R:R:W269 4.65 1 Yes Yes 7 9 1 1
L:L:?1 R:R:M128 8.25 1 Yes Yes 0 7 0 1
L:L:?1 R:R:T178 7.03 1 Yes No 0 5 0 1
R:R:F181 R:R:M197 4.98 1 Yes Yes 4 4 2 1
R:R:F181 R:R:F199 19.29 1 Yes Yes 4 4 2 2
R:R:M197 R:R:R182 11.17 1 Yes No 4 5 1 1
L:L:?1 R:R:R182 25.12 1 Yes No 0 5 0 1
R:R:F199 R:R:M197 6.22 1 Yes Yes 4 4 2 1
L:L:?1 R:R:M197 7.5 1 Yes Yes 0 4 0 1
R:R:F199 R:R:I211 10.05 1 Yes Yes 4 5 2 2
R:R:I211 R:R:K215 2.91 1 Yes No 5 4 2 1
R:R:K215 R:R:T276 3 0 No Yes 4 6 1 2
L:L:?1 R:R:K215 20.93 1 Yes No 0 4 0 1
R:R:F265 R:R:W269 4.01 0 No Yes 9 9 2 1
R:R:F272 R:R:W269 3.01 1 Yes Yes 6 9 1 1
R:R:H273 R:R:W269 6.35 1 Yes Yes 8 9 2 1
R:R:G307 R:R:W269 9.85 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 3.62 1 Yes Yes 0 9 0 1
R:R:F272 R:R:H273 9.05 1 Yes Yes 6 8 1 2
R:R:F272 R:R:T276 7.78 1 Yes Yes 6 6 1 2
L:L:?1 R:R:F272 5.81 1 Yes Yes 0 6 0 1
R:R:I304 R:R:L300 2.85 0 No No 5 4 1 2
L:L:?1 R:R:I304 15.14 1 Yes No 0 5 0 1
L:L:?1 R:R:F308 14.85 1 Yes No 0 7 0 1
R:R:A303 R:R:F272 2.77 0 No Yes 7 6 2 1
L:L:?1 R:R:G121 1.81 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.44
Average Nodes In Shell37.00
Average Hubs In Shell15.00
Average Links In Shell48.00
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 🔍)
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.44
Average Nodes In Shell37.00
Average Hubs In Shell15.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell41.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)