Code97V
Name4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide
Synonyms
Identifier4-[[(4-cyclohexylphenyl)-[(3-methylsulfonylphenyl)carbamoyl]amino]methyl]-~{N}-(1~{H}-1,2,3,4-tetrazol-5-yl)benzamide
FormulaC29 H31 N7 O4 S
Molecular Weight573.666
SMILESCS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5
PubChem23549991
Formal Charge0
Total Atoms72
Total Chiral Atoms0
Total Bonds76
Total Aromatic Bonds23
Networks3
 missing image

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
5VEX B1 Peptide Glucagon GLP-1 Homo sapiens - NNC0640 - 3 2017-05-17 10.1038/nature22378

A 2D representation of the interactions of 97V in 5VEX
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:N406 R:R:R176 3.62 0 Yes Yes 9 9 1 2
R:R:F324 R:R:L354 7.31 3 Yes No 9 8 2 1
R:R:L354 R:R:V327 5.96 0 No No 8 9 1 2
R:R:F347 R:R:L335 4.87 8 Yes No 7 8 1 2
R:R:F347 R:R:M340 3.73 8 Yes No 7 5 1 2
R:R:F347 R:R:K342 13.65 8 Yes No 7 5 1 2
R:R:F347 R:R:K351 11.17 8 Yes No 7 8 1 1
R:R:F347 W:W:?1 3.32 8 Yes Yes 7 0 1 0
R:R:N407 R:R:R348 15.67 0 No Yes 6 8 2 1
R:R:E408 R:R:R348 10.47 0 No Yes 9 8 2 1
R:R:R348 W:W:?1 8.27 0 Yes Yes 8 0 1 0
R:R:K351 W:W:?1 25.91 8 No Yes 8 0 1 0
R:R:L401 R:R:S352 6.01 0 No No 8 9 2 1
R:R:S352 R:R:Y402 5.09 0 No Yes 9 8 1 2
R:R:S352 W:W:?1 8.17 0 No Yes 9 0 1 0
R:R:L354 W:W:?1 4.71 0 No Yes 8 0 1 0
R:R:T355 W:W:?1 19.06 0 No Yes 8 0 1 0
R:R:V405 W:W:?1 10.14 0 No Yes 6 0 1 0
R:R:E408 R:R:N406 11.83 0 No Yes 9 9 2 1
R:R:N406 R:R:V409 7.39 0 Yes Yes 9 9 1 2
R:R:N406 W:W:?1 6.54 0 Yes Yes 9 0 1 0
R:R:R348 R:R:T343 2.59 0 Yes No 8 5 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.77
Average Nodes In Shell21.00
Average Hubs In Shell8.00
Average Links In Shell22.00
Average Links Mediated by Hubs In Shell20.00
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
5XEZ B1 Peptide Glucagon Glucagon Homo sapiens - NNC0640 - 3 2017-05-24 10.1038/nature22363

A 2D representation of the interactions of 97V in 5XEZ
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:R173 R:R:Y248 8.23 1 Yes Yes 9 8 2 2
R:R:R173 R:R:Y343 5.14 1 Yes Yes 9 7 2 2
R:R:L347 R:R:R173 4.86 1 Yes Yes 9 9 1 2
R:R:N404 R:R:R173 6.03 0 No Yes 9 9 1 2
R:R:E406 R:R:R173 13.96 1 No Yes 9 9 2 2
R:R:H177 R:R:L347 2.57 1 Yes Yes 9 9 2 1
R:R:H177 R:R:Y400 20.69 1 Yes Yes 9 8 2 2
R:R:L347 R:R:Y248 2.34 1 Yes Yes 9 8 1 2
R:R:L249 R:R:L347 4.15 0 No Yes 9 9 2 1
R:R:F345 R:R:L329 4.87 1 Yes No 7 9 1 2
R:R:L333 R:R:M338 4.24 1 Yes No 7 5 2 2
R:R:F345 R:R:L333 2.44 1 Yes Yes 7 7 1 2
R:R:F345 R:R:M338 2.49 1 Yes No 7 5 1 2
R:R:R346 R:R:Y343 4.12 1 Yes Yes 8 7 1 2
R:R:E406 R:R:Y343 3.37 1 No Yes 9 7 2 2
R:R:F345 R:R:K349 6.2 1 Yes No 7 9 1 1
R:R:F345 W:W:?3 9.12 1 Yes Yes 7 0 1 0
R:R:K405 R:R:R346 16.09 0 No Yes 6 8 2 1
R:R:E406 R:R:R346 4.65 1 No Yes 9 8 2 1
R:R:R346 W:W:?3 3.31 1 Yes Yes 8 0 1 0
R:R:L347 R:R:Y400 2.34 1 Yes Yes 9 8 1 2
R:R:L347 W:W:?3 1.88 1 Yes Yes 9 0 1 0
R:R:K349 W:W:?3 25.91 1 No Yes 9 0 1 0
R:R:L399 R:R:S350 3 1 No No 8 9 1 1
R:R:S350 R:R:Y400 7.63 1 No Yes 9 8 1 2
R:R:S350 W:W:?3 11.24 1 No Yes 9 0 1 0
R:R:T353 W:W:?3 20.06 0 No Yes 8 0 1 0
R:R:L357 W:W:?3 2.83 0 No Yes 9 0 1 0
R:R:L395 W:W:?3 1.88 0 No Yes 6 0 1 0
R:R:L403 R:R:V398 2.98 1 No No 5 6 1 2
R:R:L399 R:R:L403 2.77 1 No No 8 5 1 1
R:R:L399 W:W:?3 11.3 1 No Yes 8 0 1 0
R:R:L403 W:W:?3 2.83 1 No Yes 5 0 1 0
R:R:N404 R:R:V407 5.91 0 No No 9 9 1 2
R:R:N404 W:W:?3 9.34 0 No Yes 9 0 1 0
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.06
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell31.00
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
5XF1 B1 Peptide Glucagon Glucagon Homo sapiens - NNC0640 - 3.19 2017-05-24 10.1038/nature22363

A 2D representation of the interactions of 97V in 5XF1
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:H177 R:R:R173 2.26 1 Yes Yes 9 9 2 2
R:R:R173 R:R:Y248 6.17 1 Yes Yes 9 8 2 2
R:R:L347 R:R:R173 8.5 1 Yes Yes 9 9 1 2
R:R:N404 R:R:R173 6.03 1 Yes Yes 9 9 1 2
R:R:E406 R:R:R173 10.47 1 Yes Yes 9 9 2 2
R:R:F181 R:R:H177 2.26 1 Yes Yes 8 9 2 2
R:R:E245 R:R:H177 11.08 1 Yes Yes 9 9 2 2
R:R:H177 R:R:L347 2.57 1 Yes Yes 9 9 2 1
R:R:H177 R:R:Y400 11.98 1 Yes Yes 9 8 2 1
R:R:E245 R:R:L180 5.3 1 Yes Yes 9 9 2 2
R:R:L180 R:R:Y400 2.34 1 Yes Yes 9 8 2 1
R:R:F181 R:R:Y400 2.06 1 Yes Yes 8 8 2 1
R:R:E245 R:R:T351 2.82 1 Yes Yes 9 9 2 2
R:R:E245 R:R:Y400 19.08 1 Yes Yes 9 8 2 1
R:R:L347 R:R:Y248 2.34 1 Yes Yes 9 8 1 2
R:R:L249 R:R:L347 4.15 0 No Yes 9 9 2 1
R:R:A348 R:R:L249 1.58 0 No No 7 9 2 2
R:R:L249 R:R:T351 7.37 0 No Yes 9 9 2 2
R:R:F322 R:R:L352 4.87 0 No Yes 9 8 2 1
R:R:I325 R:R:L352 5.71 1 No Yes 9 8 2 1
R:R:F345 R:R:M338 4.98 1 Yes Yes 7 5 1 2
R:R:F345 R:R:H340 2.26 1 Yes No 7 5 1 2
R:R:F345 R:R:K349 9.93 1 Yes No 7 9 1 1
R:R:F345 W:W:?2 4.14 1 Yes Yes 7 0 1 0
R:R:K405 R:R:R346 9.9 1 No Yes 6 8 1 1
R:R:E406 R:R:R346 6.98 1 Yes Yes 9 8 2 1
R:R:R346 W:W:?2 1.65 1 Yes Yes 8 0 1 0
R:R:L347 R:R:Y400 3.52 1 Yes Yes 9 8 1 1
R:R:L347 W:W:?2 1.88 1 Yes Yes 9 0 1 0
R:R:A348 R:R:L352 1.58 0 No Yes 7 8 2 1
R:R:K349 W:W:?2 23.03 1 No Yes 9 0 1 0
R:R:L399 R:R:S350 4.5 1 Yes No 8 9 1 1
R:R:S350 R:R:Y400 7.63 1 No Yes 9 8 1 1
R:R:S350 W:W:?2 10.22 1 No Yes 9 0 1 0
R:R:T351 R:R:Y400 7.49 1 Yes Yes 9 8 2 1
R:R:L352 W:W:?2 4.71 0 Yes Yes 8 0 1 0
R:R:T353 W:W:?2 18.06 0 No Yes 8 0 1 0
R:R:L354 R:R:Y400 3.52 0 Yes Yes 9 8 2 1
R:R:L399 R:R:V398 2.98 1 Yes No 8 6 1 2
R:R:L403 R:R:V398 2.98 1 No No 5 6 1 2
R:R:L399 R:R:L403 2.77 1 Yes No 8 5 1 1
R:R:L399 W:W:?2 8.48 1 Yes Yes 8 0 1 0
R:R:Y400 W:W:?2 1.6 1 Yes Yes 8 0 1 0
R:R:L403 W:W:?2 2.83 1 No Yes 5 0 1 0
R:R:E406 R:R:N404 2.63 1 Yes Yes 9 9 2 1
R:R:N404 R:R:V407 4.43 1 Yes No 9 9 1 2
R:R:N404 W:W:?2 10.28 1 Yes Yes 9 0 1 0
R:R:K405 R:R:Q408 4.07 1 No No 6 7 1 2
R:R:K405 W:W:?2 4.8 1 No Yes 6 0 1 0
R:R:R346 R:R:T341 1.29 1 Yes No 8 6 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.64
Average Nodes In Shell32.00
Average Hubs In Shell18.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell47.00
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 Links10.33
Average Number Of Links With An Hub4.33
Average Interaction Strength9.16
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell35.67
Average Links Mediated by Hubs In Shell32.67

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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 🔍)