Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02445543
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 |
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 | 0.76 | ![]() |
ZBA![]() | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A | 2RKV | 0.71 | ![]() |
ZBA![]() | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A,B,C,D | 2ZBA | 0.71 | ![]() |
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 | 0.75 | ![]() |
EB1![]() | SEOCALCITOL | A | 1S0Z | 0.71 | ![]() |
VD2![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-2-METHYL- CYCLOHEXANE-1,3-DIOL | A | 1RKH | 0.72 | ![]() |
OBN![]() | OUABAIN | H,L | 1IBG | 0.81 | ![]() |
PID![]() | PERIDININ | A | 2C9E | 0.79 | ![]() |
PID![]() | PERIDININ | M,N,O | 1PPR | 0.79 | ![]() |
BIV![]() | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)- TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY- 4-METHYLPENTYL)-, (1A,3B,5Z,7E) | A | 2HCD | 0.73 | ![]() |
JC1![]() | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)- 1-[(2S,3S)-3-(2-hydroxyethyl)heptan- 2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro- 1H-inden-4-ylidene]ethylidene]- 4-methylidene-cyclohexane-1,3-diol | A | 2ZXN | 0.71 | ![]() |
OCC![]() | 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HAR | 0.73 | ![]() |
SWI![]() | SWINHOLIDE A | A,B | 1YXQ | 0.73 | ![]() |
ATE![]() | 16,17-ANDROSTENE-3-OL | A,B | 1XNX | 0.7 | ![]() |
FUG![]() | FUMAGILLIN | A,B | 3FMQ | 0.76 | ![]() |
FUG![]() | FUMAGILLIN | A | 1BOA | 0.76 | ![]() |
NEX![]() | A,B,C,D,E,F, G,H,I,J | 1RWT | 0.72 | ![]() | |
NEX![]() | A,B,C | 2BHW | 0.72 | ![]() | |
VD4![]() | (1R,3R,7E,17Z)-17-(5-hydroxy-1,5- dimethylhexylidene)-2-methylene- 9,10-secoestra-5,7-diene-1,3-diol | A | 2O4J | 0.7 | ![]() |
DGX![]() | DIGOXIN | B,D | 1IGJ | 0.78 | ![]() |
FUA![]() | FUSIDIC ACID | A | 1QCA | 0.85 | ![]() |
FUA![]() | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.85 | ![]() |
FUA![]() | FUSIDIC ACID | A,B | 2VUF | 0.85 | ![]() |
C3O![]() | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAS | 0.73 | ![]() |
CBW![]() | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.7 | ![]() |
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 | 0.76 | ![]() |
VDY![]() | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL | A,B | 1J78 | 0.71 | ![]() |
VDY![]() | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL | A,D | 1MZ9 | 0.71 | ![]() |
MVD![]() | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY- VITAMIN D3 | A | 2HB8 | 0.72 | ![]() |
DOG![]() | DIGOXIGENIN | A | 1LKE | 0.91 | ![]() |
VDZ![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-2-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 1RJK | 0.72 | ![]() |
FSC![]() | FUSICOCCIN | A | 1O9E | 0.71 | ![]() |
FSC![]() | FUSICOCCIN | A,P | 1O9F | 0.71 | ![]() |
FSC![]() | FUSICOCCIN | A,B | 2O98 | 0.71 | ![]() |
JB1![]() | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)- 1-[(2R,3S)-3-(2-hydroxyethyl)heptan- 2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro- 1H-inden-4-ylidene]ethylidene]- 4-methylidene-cyclohexane-1,3-diol | A | 2ZXM | 0.71 | ![]() |
VD5![]() | (1R,3R,7E,17E)-17-(5-hydroxy-1,5- dimethylhexylidene)-2-methylene- 9,10-secoestra-5,7-diene-1,3-diol | A | 2O4R | 0.7 | ![]() |
VDX![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 2ZBZ | 0.72 | ![]() |
VDX![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 1RK3 | 0.72 | ![]() |
VDX![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 1DB1 | 0.72 | ![]() |
VDX![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 1IE9 | 0.72 | ![]() |
VDX![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 2HC4 | 0.72 | ![]() |
VDX![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 2ZLC | 0.72 | ![]() |
VDX![]() | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 3CV9 | 0.72 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A,B | 2CBT | 0.71 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A,B,C,D,E,F | 2CBQ | 0.71 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A | 2CBO | 0.71 | ![]() |
DTX![]() | DIGITOXIGENIN | A | 1LNM | 0.92 | ![]() |
O1C![]() | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HB7 | 0.73 | ![]() |
AUR![]() | AUROVERTIN B | A,B,C,D,E,F | 1COW | 0.71 | ![]() |
C33![]() | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 0.72 | ![]() |