Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03380220
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
XAT![]() | A,B,C,D,E,F, G,H,I,J | 1RWT | 0.73 | ![]() | |
XAT![]() | A,B,C | 2BHW | 0.73 | ![]() | |
KH1![]() | 5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)- ETHYL]-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE}-ETHYLIDENE)-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 1IE8 | 0.73 | ![]() |
AUR![]() | AUROVERTIN B | A,B,C,D,E,F | 1COW | 0.73 | ![]() |
COV![]() | (1S,3R,5Z,7E,14beta,17alpha)-17- [(2S,4S)-4-(2-hydroxy-2-methylpropyl)- 2-methyltetrahydrofuran-2-yl]-9,10- secoandrosta-5,7,10-triene-1,3- diol | A | 3CS4 | 0.73 | ![]() |
OCC![]() | 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HAR | 0.75 | ![]() |
B2S![]() | (3alpha,7alpha)-3,7,15-trihydroxy- 12,13-epoxytrichothec-9-en-8-one | A | 3B2S | 0.8 | ![]() |
FSC![]() | FUSICOCCIN | A | 1O9E | 0.73 | ![]() |
FSC![]() | FUSICOCCIN | A,P | 1O9F | 0.73 | ![]() |
FSC![]() | FUSICOCCIN | A,B | 2O98 | 0.73 | ![]() |
ZBA![]() | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A | 2RKV | 0.86 | ![]() |
ZBA![]() | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A,B,C,D | 2ZBA | 0.86 | ![]() |
C3O![]() | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAS | 0.75 | ![]() |
END![]() | 1,6:5,9:8,12:11,16-TETRAANHYDRO- 2,3,4,10,13,14-HEXADEOXY-D-GLYCERO- D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL | C | 2Z93 | 0.72 | ![]() |
0CO![]() | (1S,3R,5Z,7E,14beta,17alpha,23R)- 23-(2-hydroxy-2-methylpropyl)-20,24- epoxy-9,10-secochola-5,7,10-triene- 1,3-diol | A | 3CS6 | 0.73 | ![]() |
NEX![]() | A,B,C,D,E,F, G,H,I,J | 1RWT | 0.76 | ![]() | |
NEX![]() | A,B,C | 2BHW | 0.76 | ![]() |