Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

Index: hub id, click on each number to highlight the corresponding hub in the 3D visualization.

Hub: the hub being considered.

Avg Int. Strength: the average interaction strength of all the links of the corresponding hub.

Num Of Links: the number of links of the corresponding hub.

Community: the id of the community the link belong to, otherwise 0.

ConSurf: this column reports the ConSurf conservation grades of each hub.

Index Hub Avg Int. Strength Num Of Links Community ConSurf
1L:L:?1 7.132141410
2R:R:N112 3.46406
3R:R:T130 3.4425427
4R:R:E133 3.5525408
5R:R:R148 7.84568
6R:R:Y153 8.6525469
7R:R:H154 4.035443
8R:R:F155 6.1075448
9R:R:D163 5.77429
10R:R:F170 7.3775417
11R:R:F174 4.6825415
12R:R:F180 3.71404
13R:R:D184 4.1125402
14R:R:F189 4.2075419
15R:R:K192 4.52416
16R:R:L193 6.1025414
17R:R:F200 7.6825417
18R:R:T201 3.9406
19R:R:L209 5.6525406
20R:R:D213 4.885409
21R:R:Y215 7.6075458
22R:R:F237 6.22448
23R:R:W241 7.835449
24R:R:P251 3.31416
25R:R:F268 7.70333635
26R:R:I271 3.9413
27R:R:Y275 7.215407
28R:R:W279 6.09516
29R:R:Y294 7.728509
30R:R:Y296 8.652554
31R:R:D338 5.2925407
32R:R:W356 7.38333618
33R:R:L359 3.9425407
34R:R:M363 4.318516
35R:R:M371 7.196531
36R:R:I375 3.352533
37R:R:K376 5.84432
38R:R:F379 6.3675404
39R:R:S383 4.6125416
40R:R:S390 5.63429
41R:R:V392 2.73754126
42R:R:N393 4.478529
43R:R:P394 6.1975429
44R:R:Y397 6.964509
45R:R:D403 6.7825466
   

Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

Index: link id, click on each number to highlight the corresponding link in the 3D visualization.

Node1 Node2: the two nodes of the corresponding link.

Recurrence: the relative Recurrence in the pool of shortest paths.

Int. Strength: the interaction strength between the two nodes.

Hub1?, Hub2?: "Yes" if the corresponding node has more than 3 links, otherwise "No".

Community: the id of the community the link belong to, otherwise 0.

ConSurf1, ConSurf2: these columns report the ConSurf conservation grades of the two nodes involved in a link.

Index Node1 Node2 Recurrence Int. Strength Hub1? Hub2? Community ConSurf1 ConSurf2
1R:R:F379 R:R:M363 26.49252.49YesYes046
2R:R:F268 R:R:F379 18.343611.79YesYes054
3L:L:?1 R:R:F189 41.01053.51YesYes109
4R:R:D184 R:R:F189 31.99954.78YesYes029
5R:R:D184 R:R:H178 24.96578.82YesNo024
6R:R:H178 R:R:M109 23.533219.7NoNo043
7R:R:M109 R:R:V179 22.09217.61NoNo034
8R:R:F177 R:R:V179 15.02833.93NoNo044
9R:R:F177 R:R:L111 13.527210.96NoNo044
10R:R:I119 R:R:L111 12.026115.7NoNo054
11L:L:?1 R:R:W279 70.78836.56YesYes106
12R:R:W279 R:R:W356 93.65674.69YesYes168
13R:R:C355 R:R:W356 82.04249.14NoYes088
14R:R:C355 R:R:N389 82.235411.02NoNo089
15R:R:N389 R:R:S390 29.80792.98NoYes099
16R:R:S390 R:R:T130 40.62453.2YesYes297
17R:R:E133 R:R:T130 30.80292.82YesYes087
18R:R:E133 R:R:T391 20.68114.23YesNo087
19R:R:D163 R:R:S390 17.15138.83YesYes299
20R:R:N389 R:R:N393 83.87376.81NoYes099
21R:R:D163 R:R:N393 18.22352.69YesYes299
22R:R:N393 R:R:Y397 1008.14YesYes099
23R:R:I156 R:R:Y397 93.47232.42NoYes089
24R:R:I156 R:R:Y153 87.93962.42NoYes089
25R:R:R148 R:R:Y153 13.158311.32YesYes689
26R:R:R150 R:R:Y153 73.28028.23NoYes059
27R:R:P151 R:R:R150 72.19932.88NoNo055
28R:R:P151 R:R:V228 71.08423.53NoNo056
29R:R:I216 R:R:V228 38.453.07NoNo056
30R:R:D213 R:R:I216 29.9582.8YesNo095
31R:R:V228 R:R:Y224 31.79792.52NoNo067
32R:R:D213 R:R:Y224 29.47334.6YesNo097
33R:R:D213 R:R:F155 54.10454.78YesYes098
34R:R:F155 R:R:H154 27.44474.53YesYes483
35R:R:F237 R:R:H154 22.05784.53YesYes483
36R:R:F155 R:R:L209 22.057810.96YesYes086
37L:L:?1 R:R:V196 12.210517.15YesNo107
38R:R:I169 R:R:V196 10.80373.07NoNo057
39L:L:?1 R:R:L193 12.67813.94YesYes104
40L:L:?1 R:R:Y275 22.3585.91YesYes007
41R:R:L252 R:R:P251 12.5151.64NoYes056
42L:L:?1 R:R:S383 12.72095.4YesYes106
43R:R:F278 R:R:Y275 18.60523.09NoYes067
44R:R:F278 R:R:V282 18.36942.62NoNo866
45R:R:L286 R:R:V282 19.85332.98NoNo086
46R:R:V204 R:R:W356 17.36584.9NoYes178
47R:R:L286 R:R:V204 17.4734.47NoNo087
48R:R:L209 R:R:M240 13.84895.65YesNo066
49R:R:F208 R:R:L286 36.12119.74NoNo078
50R:R:F208 R:R:I290 35.80378.79NoNo078
51R:R:I290 R:R:L207 14.77534.28NoNo088
52R:R:L207 R:R:Y397 15.00267.03NoYes089
53R:R:A211 R:R:I290 33.54784.87NoNo088
54R:R:A211 R:R:Y294 32.1116.67NoYes089
55R:R:A211 R:R:A293 25.90921.79NoNo087
56R:R:A293 R:R:Y215 23.33162.67NoYes078
57R:R:Y215 R:R:Y296 10.494911.91YesYes584
58R:R:R214 R:R:Y397 30.42975.14NoYes099
59R:R:R214 R:R:Y294 28.68428.23NoYes099
60R:R:L345 R:R:Y294 53.18678.21NoYes089
61R:R:L341 R:R:L345 44.74186.92NoNo1188
62R:R:I297 R:R:L341 42.47732.85NoNo098
63R:R:I218 R:R:I297 39.68957.36NoNo099
64R:R:I348 R:R:Y397 29.366112.09NoYes089
65R:R:I348 R:R:Y294 28.42259.67NoYes089
66R:R:A301 R:R:I218 37.16331.62NoNo089
67R:R:A301 R:R:D338 22.98423.09NoYes087
68R:R:A301 R:R:M337 11.52861.61NoNo086
69R:R:A335 R:R:D338 14.51364.63NoYes047
70R:R:A335 R:R:I339 11.62721.62NoNo045
71R:R:T391 R:R:V392 18.6311.59NoYes076
72R:R:L359 R:R:S383 10.54213YesYes076
73R:R:I395 R:R:V392 10.54641.54NoYes066
74R:R:M363 R:R:W279 22.36234.65YesYes166
Download PSN data

2D representation of the global metapath, ligand(s) interactions and
histograms of path distribution according to several parameters
(click on the image to enlarge it 🔍):

A 2D representation of the global communication in the network.

ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Number of shortest communication paths as a function of the average residue correlation.

Number of shortest communication paths as a function of the average interaction strength of their links.

Number of shortest communication paths as a function of the % of hub nodes in each path.

Number of shortest communication paths as a function of the number of nodes in each path.

Number of shortest communication paths as a function of the % of correlated nodes in each path.


2D representation of the interactions of this orthosteric/allosteric ligand.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
L:L:?1 R:R:F170 7.89 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F174 2.63 1 Yes Yes 0 5 0 1
L:L:?1 R:R:F189 3.51 1 Yes Yes 0 9 0 1
L:L:?1 R:R:L193 13.94 1 Yes Yes 0 4 0 1
L:L:?1 R:R:V196 17.15 1 Yes No 0 7 0 1
L:L:?1 R:R:T197 7.43 1 Yes No 0 6 0 1
L:L:?1 R:R:F200 13.15 1 Yes Yes 0 7 0 1
L:L:?1 R:R:P269 7.09 1 Yes No 0 3 0 1
L:L:?1 R:R:Y275 5.91 1 Yes Yes 0 7 0 1
L:L:?1 R:R:L276 3.98 1 Yes No 0 5 0 1
L:L:?1 R:R:W279 6.56 1 Yes Yes 0 6 0 1
L:L:?1 R:R:M363 3.05 1 Yes Yes 0 6 0 1
L:L:?1 R:R:S383 5.4 1 Yes Yes 0 6 0 1
R:R:F174 R:R:S123 3.96 1 Yes No 5 7 1 2
R:R:I169 R:R:V196 3.07 0 No No 5 7 2 1
R:R:F170 R:R:F174 9.65 1 Yes Yes 7 5 1 1
R:R:F170 R:R:F200 5.36 1 Yes Yes 7 7 1 1
R:R:F170 R:R:S383 6.61 1 Yes Yes 7 6 1 1
R:R:F174 R:R:M384 2.49 1 Yes No 5 5 1 2
R:R:D176 R:R:F189 3.58 1 No Yes 3 9 2 1
R:R:D176 R:R:K192 8.3 1 No Yes 3 6 2 2
R:R:D184 R:R:F189 4.78 0 Yes Yes 2 9 2 1
R:R:F189 R:R:K192 4.96 1 Yes Yes 9 6 1 2
R:R:L190 R:R:L193 2.77 1 No Yes 5 4 2 1
R:R:I271 R:R:L190 2.85 1 Yes No 3 5 2 2
R:R:G194 R:R:L193 3.42 0 No Yes 6 4 2 1
R:R:I271 R:R:L193 4.28 1 Yes Yes 3 4 2 1
R:R:F200 R:R:V196 5.24 1 Yes No 7 7 1 1
R:R:T197 R:R:T201 3.14 0 No Yes 6 6 1 2
R:R:A248 R:R:T197 5.03 0 No No 7 6 2 1
R:R:C386 R:R:F200 6.98 0 No Yes 7 7 2 1
R:R:T201 R:R:W279 6.06 0 Yes Yes 6 6 2 1
R:R:L250 R:R:Y275 16.41 0 No Yes 5 7 2 1
R:R:I271 R:R:P269 5.08 1 Yes No 3 3 2 1
R:R:D272 R:R:Y275 3.45 0 No Yes 5 7 2 1
R:R:F278 R:R:Y275 3.09 8 No Yes 6 7 2 1
R:R:L276 R:R:M363 8.48 1 No Yes 5 6 1 1
R:R:T283 R:R:W279 8.49 1 No Yes 8 6 2 1
R:R:W279 R:R:W356 4.69 1 Yes Yes 6 8 1 2
R:R:M363 R:R:W279 4.65 1 Yes Yes 6 6 1 1
R:R:I280 R:R:M363 2.92 0 No Yes 5 6 2 1
R:R:T283 R:R:W356 8.49 1 No Yes 8 8 2 2
R:R:F379 R:R:L359 3.65 0 Yes Yes 4 7 2 2
R:R:L359 R:R:S383 3 0 Yes Yes 7 6 2 1
R:R:F379 R:R:M363 2.49 0 Yes Yes 4 6 2 1
R:R:C386 R:R:S383 3.44 0 No Yes 7 6 2 1
L:L:?1 R:R:S173 2.16 1 Yes No 0 4 0 1

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

PDB Summary
PDB 9B65_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.49
Number of Linked Nodes 251
Number of Links 292
Number of Hubs 45
Number of Links mediated by Hubs 158
Number of Communities 12
Number of Nodes involved in Communities 66
Number of Links involved in Communities 87
Path Summary
Number Of Nodes in MetaPath 75
Number Of Links MetaPath 74
Number of Shortest Paths 53670
Length Of Smallest Path 3
Average Path Length 14.3032
Length of Longest Path 30
Minimum Path Strength 1.32
Average Path Strength 5.69595
Maximum Path Strength 15.545
Minimum Path Correlation 0.7
Average Path Correlation 0.916487
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 4.16667
Average % Of Corr. Nodes 42.6622
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 44.8693
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• G protein-coupled receptor-like   • Transducin (heterotrimeric G protein), gamma chain   • Ras-like P-loop GTPases
SCOP2Family Identifier• G protein-coupled receptor-like   • Transducin (heterotrimeric G protein), gamma chain   • Ras-like P-loop GTPases
Membrane Protein Annotations-• Orientations of Proteins in Membranes database (OPM)   • Protein Data Bank of Transmembrane Proteins (PDBTM)   • MemProtMD


Details about the values in these tables can be found in the corresponding documentation page .
CodeKCA
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeKCA
Namemethyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate
Synonyms
Identifier
FormulaC22 H24 F N3 O3
Molecular Weight397.443
SMILES
PubChem119025665
Formal Charge0
Total Atoms53
Total Chiral Atoms1
Total Bonds55
Total Aromatic Bonds16

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP21554
Sequence
>9B65_nogp_Chain_R
FMVLNPSQQ LAIAVLSLT LGTFTVLEN LLVLCVILH SRSLRCRPS 
YHFIGSLAV ADLLGSVIF VYSFIDFHV FHRKDSRNV FLFKLGGVT 
ASFTASVGS LFLTAIDRY ISIHRPLAY KRIVTRPKA VVAFCLMWT 
IAIVIAVLP LLDIFPHID ETYLMFWIG VTSVLLLFI VYAYMYILW 
KAHSHAVRM IQRARMDIR LAKTLVLIL VVLIICWGP LLAIMVYDV 
FGKMNKLIK TVFAFCSML CLLNSTVNP IIYALRSKD LRHAF


Click on each residue to open a popup with some information about it.

ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  




This receptor, from the same or other species and bound to the same or other ligands, is also present in the following networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7FEEALipidCannabinoidCB1Homo sapiensCP55940ZCZ011-2.72022-06-15doi.org/10.1038/s41589-022-01038-y
7WV9ALipidCannabinoidCB1Homo sapiensCP55940ZCZ011Gi2/β1/γ23.362022-06-15doi.org/10.1038/s41589-022-01038-y
7WV9 (No Gprot) ALipidCannabinoidCB1Homo sapiensCP55940ZCZ0113.362022-06-15doi.org/10.1038/s41589-022-01038-y
8IKHALipidCannabinoidCB1Homo sapiens-Q2LGi1/β1/γ13.32024-06-05doi.org/10.1073/pnas.2321532121
8IKH (No Gprot) ALipidCannabinoidCB1Homo sapiens-Q2L3.32024-06-05doi.org/10.1073/pnas.2321532121
8IKGALipidCannabinoidCB1Homo sapiens-Q2BGi1/β1/γ13.42024-06-05doi.org/10.1073/pnas.2321532121
8IKG (No Gprot) ALipidCannabinoidCB1Homo sapiens-Q2B3.42024-06-05doi.org/10.1073/pnas.2321532121
6KQIALipidCannabinoidCB1Homo sapiensCP55940Org27569-3.252019-10-23doi.org/10.1038/s41589-019-0387-2
8K8JALipidCannabinoidCB1Homo sapiensFenofibrate-chim(Gs-CtGq)/β1/γ22.882024-02-14doi.org/10.1002/advs.202306311
8K8J (No Gprot) ALipidCannabinoidCB1Homo sapiensFenofibrate-2.882024-02-14doi.org/10.1002/advs.202306311
5TGZALipidCannabinoidCB1Homo sapiensAM6538--2.82016-11-02doi.org/10.1016/j.cell.2016.10.004
6N4BALipidCannabinoidCB1Homo sapiensMDMB-Fubinaca-Gi1/β1/γ232019-01-30doi.org/10.1016/j.cell.2018.11.040
6N4B (No Gprot) ALipidCannabinoidCB1Homo sapiensMDMB-Fubinaca-32019-01-30doi.org/10.1016/j.cell.2018.11.040
6KPGALipidCannabinoidCB1Homo sapiensAM841-Gi1/β1/γ232020-02-12doi.org/10.1016/j.cell.2020.01.008
6KPG (No Gprot) ALipidCannabinoidCB1Homo sapiensAM841-32020-02-12doi.org/10.1016/j.cell.2020.01.008
7V3ZALipidCannabinoidCB1Homo sapiensCP55940--3.292021-11-24doi.org/10.1021/jacs.1c06847
5U09ALipidCannabinoidCB1Homo sapiensTaranabant--2.62016-12-07doi.org/10.1038/nature20613
5XR8ALipidCannabinoidCB1Homo sapiensAM841--2.952017-07-12doi.org/10.1038/nature23272
5XRAALipidCannabinoidCB1Homo sapiensAM11542--2.82017-07-12doi.org/10.1038/nature23272
8GHVALipidCannabinoidCB1Homo sapiensAMG315-Gi1/β1/γ22.82023-05-24doi.org/10.1038/s41467-023-37864-4
8GHV (No Gprot) ALipidCannabinoidCB1Homo sapiensAMG315-2.82023-05-24doi.org/10.1038/s41467-023-37864-4
9B9ZALipidCannabinoidCB1Homo sapiensA1AKO--3.32024-11-20doi.org/10.1038/s41467-024-54206-0
9BA0ALipidCannabinoidCB1Homo sapiensA1AKN--3.132024-11-20doi.org/10.1038/s41467-024-54206-0
9B9YALipidCannabinoidCB1Homo sapiens7DY--3.52024-11-20doi.org/10.1038/s41467-024-54206-0
9B54ALipidCannabinoidCB1Homo sapiensA1AIW-Gi1/β1/γ22.862025-03-05doi.org/10.1038/s41586-025-08618-7
9B54 (No Gprot) ALipidCannabinoidCB1Homo sapiensA1AIW-2.862025-03-05doi.org/10.1038/s41586-025-08618-7
9B65ALipidCannabinoidCB1Homo sapiensKCA-Gi1/β1/γ23.032025-03-05doi.org/10.1038/s41586-025-08618-7
9B65 (No Gprot) ALipidCannabinoidCB1Homo sapiensKCA-3.032025-03-05doi.org/10.1038/s41586-025-08618-7
8WRZALipidCannabinoidCB1Homo sapiensPubChem 102336704-Arrestin23.62024-02-28doi.org/10.1093/procel/pwad055
9ERXALipidCannabinoidCB1Homo sapiensD9-THC analog-Gi1/β1/γ22.92024-06-26doi.org/10.21203/rs.3.rs-4277209/v1
9ERX (No Gprot) ALipidCannabinoidCB1Homo sapiensD9-THC analog-2.92024-06-26doi.org/10.21203/rs.3.rs-4277209/v1
8WU1ALipidCannabinoidCB1Homo sapiensPubChem 119025665-Arrestin23.22024-03-20doi.org/10.1016/j.cell.2023.11.017
9DGIALipidCannabinoidCB1Homo sapiensZ8526711350--3.352025-04-30doi.org/10.1038/s41467-025-57136-7
9EGOALipidCannabinoidCB1Homo sapiensYVF-Gi1/β1/γ23.22025-04-30doi.org/10.1038/s41467-025-57136-7
9EGO (No Gprot) ALipidCannabinoidCB1Homo sapiensYVF-3.22025-04-30doi.org/10.1038/s41467-025-57136-7
8GAGALipidCannabinoidCB1Homo sapiensPubChem 170838490-Gi1/β1/γ23.32024-02-28To be published
8GAG (No Gprot) ALipidCannabinoidCB1Homo sapiensPubChem 170838490-3.32024-02-28To be published




You can download a compressed (zip) file with structure(s), 3D outputs (as PyMol and VMD scripts) and numerical data files (as csv and plain text files).

Download 9B65_nogp.zip



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