| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055321
BDB055321
|
2-Bromooxanthrene
Brc1ccc2c(c1)Oc1ccccc1O2
|
C12H7BrO2 263.090000 |
GSUCEGNAROQSGU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408348; PubChem:CID60059
|
Local ready
Direct docking supported
|
|
E3L055322
BDB055322
|
1,3,6-Trichlorodibenzofuran
Clc1cc(Cl)c2c(c1)oc1c(Cl)cccc12
|
C12H5Cl3O 271.530000 |
AGPTXRLVBIRYLV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408350; PubChem:CID55119
|
Local ready
Direct docking supported
|
|
E3L055323
BDB055323
|
1,2,4,6,7,8-Hexachlorodibenzofuran
Clc1cc2c(oc3c(Cl)cc(Cl)c(Cl)c32)c(Cl)c1Cl
|
C12H2Cl6O 374.865000 |
CKDDYGBBKXIHRY-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408351; PubChem:CID49931
|
Local ready
Direct docking supported
|
|
E3L055324
BDB055324
|
1,2,4,7,9-Pentachlorodibenzofuran
Clc1cc(Cl)c2c(c1)oc1c(Cl)cc(Cl)c(Cl)c12
|
C12H3Cl5O 340.420000 |
IYGVHNHWORPMFU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408352; PubChem:CID51464
|
Local ready
Direct docking supported
|
|
E3L055325
BDB055325
|
2-Bromo-3,7,8-trichlorodibenzo-p-dioxin
Clc1cc2c(cc1Cl)Oc1cc(Br)c(Cl)cc1O2
|
C12H4BrCl3O2 366.425000 |
MEDUBLZGNFZMKG-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408353; PubChem:CID114896
|
Local ready
Direct docking supported
|
|
E3L055326
BDB055326
|
2,3,3',4,4',5'-Hexachlorobiphenyl
Clc1cc(-c2ccc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl
|
C12H4Cl6 360.882000 |
YTWXDQVNPCIEOX-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408354; PubChem:CID50891
|
Local ready
Direct docking supported
|
|
E3L055327
BDB055327
|
2,6-Dichlorodibenzofuran
Clc1ccc2oc3c(Cl)cccc3c2c1
|
C12H6Cl2O 237.085000 |
XVLCNKFGFHUQNL-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408355; PubChem:CID43255
|
Local ready
Direct docking supported
|
|
E3L055328
BDB055328
|
2,3,7-Tribromobenzo-4-dioxin
Brc1ccc2c(c1)Oc1cc(Br)c(Br)cc1O2
|
C12H5Br3O2 420.882000 |
BYNRLLTUMJGOGR-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408356; PubChem:CID108120
|
Local ready
Direct docking supported
|
|
E3L055329
BDB055329
|
Pcb 77
Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl
|
C12H6Cl4 291.992000 |
UQMGJOKDKOLIDP-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408357; PubChem:CID36187
|
Local ready
Direct docking supported
|
|
E3L055330
BDB055330
|
1,7,8-Trichlorodibenzo-P-dioxin
Clc1cc2c(cc1Cl)Oc1c(Cl)cccc1O2
|
C12H5Cl3O2 287.529000 |
GXPWNYXJJDQHBO-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408358; PubChem:CID115206
|
Local ready
Direct docking supported
|
|
E3L055331
BDB055331
|
1,3,7,8-Tetrabromodibenzo-p-dioxin
Brc1cc(Br)c2c(c1)Oc1cc(Br)c(Br)cc1O2
|
C12H4Br4O2 499.778000 |
DKKJDGGGXMTZKQ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408359; PubChem:CID184065
|
Local ready
Direct docking supported
|
|
E3L055332
BDB055332
|
Pcb 114
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1
|
C12H5Cl5 326.437000 |
SXZSFWHOSHAKMN-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408360; PubChem:CID53036
|
Local ready
Direct docking supported
|
|
E3L055333
BDB055333
|
2,3,6,8-Tetrachlorodibenzofuran
Clc1cc(Cl)c2oc3cc(Cl)c(Cl)cc3c2c1
|
C12H4Cl4O 305.975000 |
SPMZHWVRMWWTSY-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408361; PubChem:CID42134
|
Local ready
Direct docking supported
|
|
E3L055334
BDB055334
|
Dibenzofuran
c1ccc2c(c1)oc1ccccc12
|
C12H8O 168.195000 |
TXCDCPKCNAJMEE-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408362; PubChem:CID568
|
Local ready
Direct docking supported
|
|
E3L055335
BDB055335
|
1,2,3,7,8-Pentachlorodibenzo-p-dioxin
Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Cl)c1Cl)O2
|
C12H3Cl5O2 356.419000 |
FSPZPQQWDODWAU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408363; PubChem:CID38439
|
Local ready
Direct docking supported
|
|
E3L055336
BDB055336
|
2,6,7-Trichlorodibenzofuran
Clc1ccc2oc3c(Cl)c(Cl)ccc3c2c1
|
C12H5Cl3O 271.530000 |
YTZWNIQGGIJHJX-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408365; PubChem:CID55125
|
Local ready
Direct docking supported
|
|
E3L055337
BDB055337
|
2,3',4,4',5-Pentachlorobiphenyl
Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl
|
C12H5Cl5 326.437000 |
IUTPYMGCWINGEY-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408366; PubChem:CID35823
|
Local ready
Direct docking supported
|
|
E3L055338
BDB055338
|
2',3,4,4',5-Pentachlorobiphenyl
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1
|
C12H5Cl5 326.437000 |
YAHNWSSFXMVPOU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408367; PubChem:CID47650
|
Local ready
Direct docking supported
|
|
E3L055339
BDB055339
|
2,3,4,7,8-Pentachlorodibenzofuran
Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl
|
C12H3Cl5O 340.420000 |
OGBQILNBLMPPDP-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408369; PubChem:CID42128
|
Local ready
Direct docking supported
|
|
E3L055340
BDB055340
|
2,3',4,4',5,5'-Hexachlorobiphenyl
Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl
|
C12H4Cl6 360.882000 |
AZXHAWRMEPZSSV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408370; PubChem:CID40479
|
Local ready
Direct docking supported
|