Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03084703
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 |
HC2![]() | 20-HYDROXYCHOLESTEROL | A | 1ZHW | 0.71 | ![]() |
LVA![]() | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6- DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}- 1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL)-3,5-DIHYDROXYHEPTANOIC ACID | A,B | 1T02 | 0.73 | ![]() |
114![]() | COMPACTIN | A,B,C,D | 1HW8 | 0.73 | ![]() |
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 | 0.71 | ![]() |
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 | 0.73 | ![]() |
OCC![]() | 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HAR | 0.78 | ![]() |
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 | 0.74 | ![]() |
SIM![]() | SIMVASTATIN | A,B,C,D | 1HW9 | 0.75 | ![]() |
HC3![]() | 25-HYDROXYCHOLESTEROL | A | 1ZHX | 0.71 | ![]() |
2OB![]() | CHOLESTERYL OLEATE | A | 2OBD | 0.71 | ![]() |
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 | 0.72 | ![]() |
OBN![]() | OUABAIN | H,L | 1IBG | 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 | 0.74 | ![]() |
CLR![]() | CHOLESTEROL | A,B | 2ZXE | 0.7 | ![]() |
CLR![]() | CHOLESTEROL | A | 1N83 | 0.7 | ![]() |
CLR![]() | CHOLESTEROL | A | 2RH1 | 0.7 | ![]() |
CLR![]() | CHOLESTEROL | A | 1LRI | 0.7 | ![]() |
CLR![]() | CHOLESTEROL | A | 1ZHY | 0.7 | ![]() |
CLR![]() | CHOLESTEROL | A | 3D4S | 0.7 | ![]() |
CLL![]() | CHOLESTERYL LINOLEATE | A,B | 1CLE | 0.71 | ![]() |
P1A![]() | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | A,D | 1R1K | 0.71 | ![]() |
P1A![]() | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,U | 1Z5X | 0.71 | ![]() |
P1A![]() | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,F,G,H | 2NXX | 0.71 | ![]() |
MVB![]() | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO- 7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO- 4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]- 1-NAPHTHALENOL | A,B,C | 1YA8 | 0.7 | ![]() |
0MA![]() | maslinic acid | A | 2QN2 | 0.74 | ![]() |
SRN![]() | SORANGICIN A | C,D | 1YNJ | 0.7 | ![]() |
EB1![]() | SEOCALCITOL | A | 1S0Z | 0.7 | ![]() |
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 | 0.73 | ![]() |
PID![]() | PERIDININ | A | 2C9E | 0.7 | ![]() |
PID![]() | PERIDININ | M,N,O | 1PPR | 0.7 | ![]() |
MVD![]() | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY- VITAMIN D3 | A | 2HB8 | 0.72 | ![]() |
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 | ![]() |
VDB![]() | (1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2- ethyl-2-hydroxybutyl)sulfanyl]ethyl}- 2-(2-hydroxyethoxy)-9,10-secoestra- 5,7,16-triene-1,3-diol | A | 2ZLA | 0.71 | ![]() |
FUA![]() | FUSIDIC ACID | A | 1QCA | 0.76 | ![]() |
FUA![]() | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.76 | ![]() |
FUA![]() | FUSIDIC ACID | A,B | 2VUF | 0.76 | ![]() |
ZBA![]() | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A | 2RKV | 0.72 | ![]() |
ZBA![]() | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A,B,C,D | 2ZBA | 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 | 0.72 | ![]() |
VD1![]() | 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL- OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}- 2-METHYLENE-CYCLOHEXANE-1,3-DIOL | A | 1RKG | 0.71 | ![]() |
FSC![]() | FUSICOCCIN | A | 1O9E | 0.71 | ![]() |
FSC![]() | FUSICOCCIN | A,P | 1O9F | 0.71 | ![]() |
FSC![]() | FUSICOCCIN | A,B | 2O98 | 0.71 | ![]() |
DOG![]() | DIGOXIGENIN | A | 1LKE | 0.74 | ![]() |
VDA![]() | (1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl- 2-hydroxybutyl)sulfanyl]ethyl}- 2-(2-hydroxyethoxy)-9,10-secoestra- 5,7,16-triene-1,3-diol | A | 2ZL9 | 0.71 | ![]() |
DTX![]() | DIGITOXIGENIN | A | 1LNM | 0.75 | ![]() |
0AS![]() | asiatic acid | A | 2QN1 | 0.71 | ![]() |
ERG![]() | ERGOSTEROL | A | 1BXM | 0.72 | ![]() |
ERG![]() | ERGOSTEROL | A | 1ZHZ | 0.72 | ![]() |
ERG![]() | ERGOSTEROL | A,B | 2AIB | 0.72 | ![]() |
803![]() | LOVASTATIN | A,B | 1CQP | 0.71 | ![]() |
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 | ![]() |
LUX![]() | (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'- DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'- OCTADECAHYDRO-BETA,BETA-CAROTENE- 3,3'-DIOL | A,B,C | 2BHW | 0.73 | ![]() |
C3O![]() | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAS | 0.78 | ![]() |
LUT![]() | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO- BETA,BETA-CAROTENE-3,3'-DIOL | A,B,C,D,E,F, G,H,I,J | 1RWT | 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 | ![]() |
SXN![]() | Salinixanthin | A,B | 3DDL | 0.7 | ![]() |
HCR![]() | 7-HYDROXYCHOLESTEROL | A | 1ZHT | 0.75 | ![]() |
LAN![]() | LANOSTEROL | A | 1W6K | 0.74 | ![]() |
O1C![]() | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HB7 | 0.73 | ![]() |
C33![]() | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 0.72 | ![]() |
FUG![]() | FUMAGILLIN | A,B | 3FMQ | 0.72 | ![]() |
FUG![]() | FUMAGILLIN | A | 1BOA | 0.72 | ![]() |
20E![]() | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.71 | ![]() |