CodeVH6
NamePlerixafor
Synonyms1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane); AMD3100
Identifier1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
FormulaC28 H54 N8
Molecular Weight502.782
SMILESc1cc(ccc1CN2CCCNCCNCCCNCC2)CN3CCCNCCNCCCNCC3
PubChem65015
Formal Charge0
Total Atoms90
Total Chiral Atoms0
Total Bonds92
Total Aromatic Bonds6
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
8U4P A Protein Chemokine CXCR4 Homo sapiens AMD3100 Cholesterol Gi1/Beta1/Gamma2 3.15 2024-03-13 10.1101/2024.02.09.579708

A 2D representation of the interactions of VH6 in 8U4P
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:L41 R:R:Y45 4.69 0 Yes Yes 6 7 2 1
R:R:A95 R:R:Y45 2.67 0 No Yes 7 7 2 1
R:R:F292 R:R:Y45 6.19 2 Yes Yes 7 7 2 1
L:L:?1 R:R:Y45 2.84 2 Yes Yes 0 7 0 1
R:R:F87 R:R:Y116 5.16 2 Yes Yes 7 6 2 1
R:R:F87 R:R:L120 4.87 2 Yes No 7 7 2 2
R:R:F292 R:R:F87 8.57 2 Yes Yes 7 7 2 2
R:R:T90 R:R:W94 2.43 2 Yes Yes 6 7 2 1
R:R:T90 R:R:V112 3.17 2 Yes Yes 6 5 2 2
R:R:T90 R:R:Y116 3.75 2 Yes Yes 6 6 2 1
R:R:V112 R:R:W94 4.9 2 Yes Yes 5 7 2 1
R:R:H113 R:R:W94 6.35 0 Yes Yes 6 7 2 1
L:L:?1 R:R:W94 17.46 2 Yes Yes 0 7 0 1
R:R:L120 R:R:Y116 4.69 2 No Yes 7 6 2 1
R:R:F292 R:R:Y116 4.13 2 Yes Yes 7 6 2 1
L:L:?1 R:R:Y116 5.67 2 Yes Yes 0 6 0 1
R:R:D193 R:R:L266 9.5 0 No Yes 1 3 2 1
R:R:L266 R:R:V196 2.98 0 Yes No 3 4 1 2
R:R:L266 R:R:V197 4.47 0 Yes No 3 3 1 2
R:R:D262 R:R:Q200 5.22 2 No No 5 5 1 2
R:R:E288 R:R:Y255 10.1 0 No Yes 5 7 1 2
R:R:G258 R:R:I284 3.53 0 No Yes 4 4 2 1
R:R:D262 R:R:I284 4.2 2 No Yes 5 4 1 1
L:L:?1 R:R:D262 24.09 2 Yes No 0 5 0 1
R:R:E277 R:R:I265 2.73 0 No No 2 3 1 2
R:R:I265 R:R:V280 4.61 0 No Yes 3 5 2 2
L:L:?1 R:R:L266 5.58 2 Yes Yes 0 3 0 1
L:L:?1 R:R:E277 7.48 2 Yes No 0 2 0 1
R:R:I284 R:R:V280 3.07 2 Yes Yes 4 5 1 2
R:R:H281 R:R:S285 2.79 0 No No 4 5 1 2
L:L:?1 R:R:H281 7.26 2 Yes No 0 4 0 1
L:L:?1 R:R:I284 12.67 2 Yes Yes 0 4 0 1
R:R:E288 R:R:F292 10.49 0 No Yes 5 7 1 2
L:L:?1 R:R:E288 19.24 2 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.37
Average Nodes In Shell27.00
Average Hubs In Shell14.00
Average Links In Shell34.00
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 🔍)
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.37
Average Nodes In Shell27.00
Average Hubs In Shell14.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell31.00

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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 🔍)