Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00461643
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 |
20E | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.74 | |
DGX | DIGOXIN | B,D | 1IGJ | 0.84 | |
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 | |
PID | PERIDININ | A | 2C9E | 0.76 | |
PID | PERIDININ | M,N,O | 1PPR | 0.76 | |
1CA | DESOXYCORTICOSTERONE | A,B | 1Y9R | 0.7 | |
1CA | DESOXYCORTICOSTERONE | A,B,C | 2ABI | 0.7 | |
1CA | DESOXYCORTICOSTERONE | A | 2Q3Y | 0.7 | |
1CA | DESOXYCORTICOSTERONE | A | 2AA7 | 0.7 | |
SWI | SWINHOLIDE A | A,B | 1YXQ | 0.7 | |
OBN | OUABAIN | H,L | 1IBG | 0.87 | |
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 | 0.77 | |
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 | |
FUA | FUSIDIC ACID | A | 1QCA | 0.92 | |
FUA | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.92 | |
FUA | FUSIDIC ACID | A,B | 2VUF | 0.92 | |
AFB | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A,B,E | 1R8Q | 0.74 | |
AFB | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A | 1RE0 | 0.74 | |
AFB | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A,E | 1S9D | 0.74 | |
VD5 | (1R,3R,7E,17E)-17-(5-hydroxy-1,5- dimethylhexylidene)-2-methylene- 9,10-secoestra-5,7-diene-1,3-diol | A | 2O4R | 0.71 | |
OCC | 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HAR | 0.74 | |
DL4 | (14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid | A | 3GYT | 0.72 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A,B | 2CBT | 0.77 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A,B,C,D,E,F | 2CBQ | 0.77 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A | 2CBO | 0.77 | |
C0R | CORTICOSTERONE | A | 2A3I | 0.71 | |
C0R | CORTICOSTERONE | A,B | 1Y5R | 0.71 | |
DOG | DIGOXIGENIN | A | 1LKE | 0.99 | |
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 | 0.73 | |
TES | TESTOSTERONE | A | 1JTV | 0.73 | |
TES | TESTOSTERONE | A | 2Q7L | 0.73 | |
TES | TESTOSTERONE | A | 2Q7I | 0.73 | |
TES | TESTOSTERONE | A,B | 1J96 | 0.73 | |
TES | TESTOSTERONE | A | 2Q7K | 0.73 | |
TES | TESTOSTERONE | A,B | 1Q13 | 0.73 | |
TES | TESTOSTERONE | H | 1I9J | 0.73 | |
TES | TESTOSTERONE | A,B | 1AFS | 0.73 | |
TES | TESTOSTERONE | H | 1VPO | 0.73 | |
TES | TESTOSTERONE | A | 2Q7J | 0.73 | |
TES | TESTOSTERONE | A,B | 3BUR | 0.73 | |
TES | TESTOSTERONE | A | 2AM9 | 0.73 | |
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 | 0.72 | |
GR3 | 3-ACETOXY-17-(1-FORMYL-5-METHYL- 3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14- TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE- 4-CARBOXYLIC ACID | B,D | 1AWH | 0.71 | |
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 | |
C33 | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 0.73 | |
FUG | FUMAGILLIN | A,B | 3FMQ | 0.73 | |
FUG | FUMAGILLIN | A | 1BOA | 0.73 | |
C3O | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAS | 0.74 | |
DTX | DIGITOXIGENIN | A | 1LNM | 1 | |
2OB | CHOLESTERYL OLEATE | A | 2OBD | 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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | A,D | 1R1K | 0.74 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,U | 1Z5X | 0.74 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,F,G,H | 2NXX | 0.74 | |
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 | 0.77 | |
CBW | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.72 | |
FSC | FUSICOCCIN | A | 1O9E | 0.71 | |
FSC | FUSICOCCIN | A,P | 1O9F | 0.71 | |
FSC | FUSICOCCIN | A,B | 2O98 | 0.71 | |
CBO | CARBENOXOLONE | A,B,C,D | 1HDC | 0.71 | |
CBO | CARBENOXOLONE | A,B,C,D | 2BEL | 0.71 | |
CLR | CHOLESTEROL | A,B | 2ZXE | 0.71 | |
CLR | CHOLESTEROL | A | 1N83 | 0.71 | |
CLR | CHOLESTEROL | A | 2RH1 | 0.71 | |
CLR | CHOLESTEROL | A | 1LRI | 0.71 | |
CLR | CHOLESTEROL | A | 1ZHY | 0.71 | |
CLR | CHOLESTEROL | A | 3D4S | 0.71 | |
O1C | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HB7 | 0.74 | |
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 | 0.73 | |
CLL | CHOLESTERYL LINOLEATE | A,B | 1CLE | 0.7 | |
HC3 | 25-HYDROXYCHOLESTEROL | A | 1ZHX | 0.73 | |
HC2 | 20-HYDROXYCHOLESTEROL | A | 1ZHW | 0.73 | |
HCY | (11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione | A,B | 2VDY | 0.7 | |
HCY | (11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione | A | 2V95 | 0.7 | |
ZBA | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A | 2RKV | 0.73 | |
ZBA | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A,B,C,D | 2ZBA | 0.73 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPG | 0.73 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPJ | 0.73 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPF | 0.73 | |
HCR | 7-HYDROXYCHOLESTEROL | A | 1ZHT | 0.74 | |
VD4 | (1R,3R,7E,17Z)-17-(5-hydroxy-1,5- dimethylhexylidene)-2-methylene- 9,10-secoestra-5,7-diene-1,3-diol | A | 2O4J | 0.71 | |
GA3 | GIBBERELLIN A3 | A | 2ZSH | 0.71 | |
GA3 | GIBBERELLIN A3 | A,B,C,D,E,F | 3ED1 | 0.71 | |
CO1 | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1- METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 3-OL | A,B | 1P8D | 0.74 | |
SIH | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.75 | |
MVD | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY- VITAMIN D3 | A | 2HB8 | 0.73 | |
NTH | SUCCINIC ACID MONO-(13-METHYL-3- OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 17-YL) ESTER | A,B | 1BUQ | 0.76 | |
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 | 0.72 |