Code08Y
NameBromocriptine
SynonymsBromocryptine
Identifiern/a
FormulaC32 H40 Br N5 O5
Molecular Weight654.594
SMILESCC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
PubChem31101
Formal Charge0
Total Atoms83
Total Chiral Atoms6
Total Bonds89
Total Aromatic Bonds10
Networks2
 missing image

This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6VMS A Amine Dopamine D2 Homo sapiens Bromoergocryptine - Gi1/Beta1/Gamma2 3.8 2020-06-17 10.1038/s41586-020-2379-5

A 2D representation of the interactions of 08Y in 6VMS
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:F110 R:R:V87 5.24 0 Yes No 7 8 1 2
R:R:D114 R:R:V87 5.84 4 No No 8 8 1 2
R:R:M88 R:R:Y416 10.78 0 Yes Yes 9 8 2 1
R:R:F110 R:R:W90 8.02 0 Yes No 7 6 1 2
R:R:F110 R:R:V91 3.93 0 Yes No 7 8 1 2
L:L:?1 R:R:F110 3.82 4 Yes Yes 0 7 0 1
R:R:I184 R:R:V111 3.07 0 No No 7 6 1 2
R:R:D114 R:R:Y416 12.64 4 No Yes 8 8 1 1
L:L:?1 R:R:D114 15.32 4 Yes No 0 8 0 1
L:L:?1 R:R:V115 8.41 4 Yes No 0 8 0 1
R:R:C118 R:R:W386 6.53 0 No No 8 9 1 2
L:L:?1 R:R:C118 5.97 4 Yes No 0 8 0 1
R:R:S163 R:R:T119 3.2 0 No No 8 8 2 1
R:R:S197 R:R:T119 9.59 4 No No 8 8 1 1
L:L:?1 R:R:T119 3.7 4 Yes No 0 8 0 1
R:R:I166 R:R:S197 3.1 0 No No 8 8 2 1
R:R:I184 R:R:N175 7.08 0 No No 7 7 1 2
R:R:E181 R:R:I183 13.66 0 No No 4 5 2 1
L:L:?1 R:R:I183 8.95 4 Yes No 0 5 0 1
L:L:?1 R:R:I184 3.58 4 Yes No 0 7 0 1
R:R:H393 R:R:V190 13.84 4 Yes No 8 7 1 2
R:R:S194 R:R:Y199 7.63 4 No Yes 8 7 2 2
R:R:F390 R:R:S194 7.93 4 Yes No 8 8 1 2
L:L:?1 R:R:S197 3.77 4 Yes No 0 8 0 1
R:R:F198 R:R:Y199 9.28 4 Yes Yes 9 7 2 2
R:R:F198 R:R:F390 26.79 4 Yes Yes 9 8 2 1
R:R:F390 R:R:Y199 3.09 4 Yes Yes 8 7 1 2
R:R:F389 R:R:F390 9.65 4 No Yes 8 8 1 1
R:R:F389 R:R:Y408 4.13 4 No Yes 8 5 1 1
L:L:?1 R:R:F389 10.69 4 Yes No 0 8 0 1
L:L:?1 R:R:F390 6.87 4 Yes Yes 0 8 0 1
R:R:H393 R:R:I397 6.63 4 Yes No 8 6 1 2
R:R:H393 R:R:Y408 8.71 4 Yes Yes 8 5 1 1
L:L:?1 R:R:H393 3.22 4 Yes Yes 0 8 0 1
R:R:I403 R:R:Y408 9.67 0 Yes Yes 6 5 2 1
L:L:?1 R:R:Y408 12.5 4 Yes Yes 0 5 0 1
R:R:T412 R:R:Y416 4.99 4 No Yes 8 8 1 1
L:L:?1 R:R:T412 7.39 4 Yes No 0 8 0 1
L:L:?1 R:R:Y416 4.41 4 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.04
Average Nodes In Shell31.00
Average Hubs In Shell10.00
Average Links In Shell39.00
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
7JVR A Amine Dopamine D2 Homo sapiens Bromoergocryptine - Gi1/Beta1/Gamma2 2.8 2021-02-24 10.1016/j.cell.2021.01.027

A 2D representation of the interactions of 08Y in 7JVR
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:D114 R:R:V87 5.84 5 No No 8 8 1 2
R:R:M88 R:R:Y416 9.58 0 Yes Yes 9 8 2 1
R:R:F110 R:R:W90 10.02 0 No No 7 6 1 2
R:R:V91 R:R:Y416 6.31 0 No Yes 8 8 2 1
R:R:F110 R:R:W100 3.01 0 No Yes 7 9 1 2
L:L:?1 R:R:F110 3.82 5 Yes No 0 7 0 1
R:R:L170 R:R:V111 5.96 0 No No 8 6 2 2
R:R:N175 R:R:V111 4.43 5 Yes No 7 6 2 2
R:R:I184 R:R:V111 4.61 5 No No 7 6 1 2
R:R:D114 R:R:Y416 8.05 5 No Yes 8 8 1 1
L:L:?1 R:R:D114 11.06 5 Yes No 0 8 0 1
R:R:S167 R:R:V115 3.23 0 No No 9 8 2 1
R:R:L170 R:R:V115 4.47 0 No No 8 8 2 1
L:L:?1 R:R:V115 12.14 5 Yes No 0 8 0 1
R:R:C118 R:R:W386 5.22 5 No Yes 8 9 1 2
R:R:C118 R:R:Y416 2.69 5 No Yes 8 8 1 1
L:L:?1 R:R:C118 5.97 5 Yes No 0 8 0 1
R:R:L123 R:R:T119 2.95 0 Yes Yes 8 8 2 1
R:R:S163 R:R:T119 3.2 0 No Yes 8 8 2 1
R:R:S197 R:R:T119 9.59 5 No Yes 8 8 1 1
L:L:?1 R:R:T119 3.7 5 Yes Yes 0 8 0 1
R:R:I166 R:R:S193 3.1 0 No No 8 9 2 1
R:R:I166 R:R:S197 7.74 0 No No 8 8 2 1
R:R:F189 R:R:L170 8.53 0 Yes No 8 8 2 2
R:R:I184 R:R:N175 2.83 5 No Yes 7 7 1 2
L:L:?1 R:R:I183 4.47 5 Yes No 0 5 0 1
L:L:?1 R:R:I184 10.74 5 Yes No 0 7 0 1
R:R:F189 R:R:S193 5.28 0 Yes No 8 9 2 1
R:R:H393 R:R:V190 12.45 0 No No 8 7 2 1
L:L:?1 R:R:V190 3.74 5 Yes No 0 7 0 1
L:L:?1 R:R:S193 4.71 5 Yes No 0 9 0 1
R:R:S194 R:R:Y199 6.36 5 No Yes 8 7 2 2
R:R:F390 R:R:S194 6.61 5 Yes No 8 8 1 2
L:L:?1 R:R:S197 4.71 5 Yes No 0 8 0 1
R:R:F198 R:R:Y199 7.22 5 Yes Yes 9 7 2 2
R:R:F198 R:R:W386 3.01 5 Yes Yes 9 9 2 2
R:R:F198 R:R:F390 30.01 5 Yes Yes 9 8 2 1
R:R:F390 R:R:Y199 3.09 5 Yes Yes 8 7 1 2
R:R:F390 R:R:W386 3.01 5 Yes Yes 8 9 1 2
R:R:F389 R:R:F411 3.22 5 No No 8 5 1 2
R:R:F389 R:R:T412 5.19 5 No No 8 8 1 1
L:L:?1 R:R:F389 12.22 5 Yes No 0 8 0 1
L:L:?1 R:R:F390 8.4 5 Yes Yes 0 8 0 1
R:R:I403 R:R:N396 11.33 5 Yes No 6 5 2 2
R:R:N396 R:R:Y408 9.3 5 No No 5 5 2 1
R:R:I403 R:R:Y408 4.84 5 Yes No 6 5 2 1
L:L:?1 R:R:Y408 9.56 5 Yes No 0 5 0 1
R:R:T412 R:R:Y416 4.99 5 No Yes 8 8 1 1
L:L:?1 R:R:T412 2.77 5 Yes No 0 8 0 1
L:L:?1 R:R:Y416 4.41 5 Yes Yes 0 8 0 1
R:R:V83 R:R:Y416 2.52 0 No Yes 8 8 2 1
R:R:A185 R:R:I183 1.62 0 No No 7 5 2 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub3.00
Average Interaction Strength6.83
Average Nodes In Shell39.00
Average Hubs In Shell13.00
Average Links In Shell52.00
Average Links Mediated by Hubs In Shell39.00
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 Links14.50
Average Number Of Links With An Hub4.00
Average Interaction Strength6.94
Average Nodes In Shell35.00
Average Hubs In Shell11.50
Average Links In Shell45.50
Average Links Mediated by Hubs In Shell35.00

missing image


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 🔍)