Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01726151
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 |
C3S | CHOLEST-5-EN-3-YL HYDROGEN SULFATE | A | 1S0X | 0.75 | |
C3S | CHOLEST-5-EN-3-YL HYDROGEN SULFATE | A | 2Q9F | 0.75 | |
C3S | CHOLEST-5-EN-3-YL HYDROGEN SULFATE | A,B,C | 2HKA | 0.75 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPG | 0.71 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPJ | 0.71 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPF | 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 | 0.81 | |
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 | 0.99 | |
LAN | LANOSTEROL | A | 1W6K | 0.76 | |
FUA | FUSIDIC ACID | A | 1QCA | 0.72 | |
FUA | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.72 | |
FUA | FUSIDIC ACID | A,B | 2VUF | 0.72 | |
ATE | 16,17-ANDROSTENE-3-OL | A,B | 1XNX | 0.73 | |
3ON | (3R)-3-HYDROXY-8'-APOCAROTENOL | A,B,C,D | 2BIW | 0.75 | |
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 | 0.97 | |
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 | 0.79 | |
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 | 0.91 | |
PLO | (3BETA)-3-HYDROXYPREGN-5-EN-20- ONE | A | 1Q20 | 0.76 | |
XAT | A,B,C,D,E,F, G,H,I,J | 1RWT | 0.74 | ||
XAT | A,B,C | 2BHW | 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 | 0.74 | |
XE4 | 1,3-CYCLOHEXANEDIOL, 4-METHYLENE- 5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO- 1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)- 7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]- , (1R,3S,5Z) | A | 2HBH | 0.93 | |
20E | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.72 | |
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 | 0.95 | |
VD1 | 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL- OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}- 2-METHYLENE-CYCLOHEXANE-1,3-DIOL | A | 1RKG | 0.96 | |
TX5 | (1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO- 1-((S)-6-HYDROXY-6-METHYLHEPT-4- YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)- YLIDENE)ETHYLIDENE)CYCLOHEXANE- 1,3-DIOL | A | 1TXI | 0.93 | |
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 | 0.74 | |
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 | 0.97 | |
VD4 | (1R,3R,7E,17Z)-17-(5-hydroxy-1,5- dimethylhexylidene)-2-methylene- 9,10-secoestra-5,7-diene-1,3-diol | A | 2O4J | 0.97 | |
VDY | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL | A,B | 1J78 | 0.93 | |
VDY | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL | A,D | 1MZ9 | 0.93 | |
O1C | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HB7 | 0.99 | |
OCC | 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HAR | 0.92 | |
EB1 | SEOCALCITOL | A | 1S0Z | 0.95 | |
MVD | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY- VITAMIN D3 | A | 2HB8 | 1 | |
VD3 | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)- 7A-METHYL-1-[(2R)-6-METHYLHEPTAN- 2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H- INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE- CYCLOHEXAN-1-OL | A | 2GJ5 | 0.88 | |
VD3 | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)- 7A-METHYL-1-[(2R)-6-METHYLHEPTAN- 2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H- INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE- CYCLOHEXAN-1-OL | A,B | 3C6G | 0.88 | |
HC2 | 20-HYDROXYCHOLESTEROL | A | 1ZHW | 0.86 | |
ERG | ERGOSTEROL | A | 1BXM | 0.84 | |
ERG | ERGOSTEROL | A | 1ZHZ | 0.84 | |
ERG | ERGOSTEROL | A,B | 2AIB | 0.84 | |
V2H | (1S,3R,5Z,7E,22E)-9,10-secoergosta- 5,7,10,22-tetraene-1,3-diol | A,B | 3DL9 | 0.95 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A,B | 1E3R | 0.75 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 3DHE | 0.75 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1J99 | 0.75 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1COY | 0.75 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1Q22 | 0.75 | |
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 | 0.99 | |
HC3 | 25-HYDROXYCHOLESTEROL | A | 1ZHX | 0.86 | |
MI4 | (1R,3R,7E,17beta)-17-{(1S,2E,5R)- 5-hydroxy-1-methyl-6-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]hex- 2-en-1-yl}-2-methylidene-9,10-secoestra- 5,7-diene-1,3-diol | A | 2ZMJ | 0.85 | |
22B | BACTERIORUBERIN | A,B,D,E | 2Z55 | 0.71 | |
22B | BACTERIORUBERIN | A | 2EI4 | 0.71 | |
CLR | CHOLESTEROL | A,B | 2ZXE | 0.83 | |
CLR | CHOLESTEROL | A | 1N83 | 0.83 | |
CLR | CHOLESTEROL | A | 2RH1 | 0.83 | |
CLR | CHOLESTEROL | A | 1LRI | 0.83 | |
CLR | CHOLESTEROL | A | 1ZHY | 0.83 | |
CLR | CHOLESTEROL | A | 3D4S | 0.83 | |
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 | 0.91 | |
HCR | 7-HYDROXYCHOLESTEROL | A | 1ZHT | 0.86 | |
TES | TESTOSTERONE | A | 1JTV | 0.71 | |
TES | TESTOSTERONE | A | 2Q7L | 0.71 | |
TES | TESTOSTERONE | A | 2Q7I | 0.71 | |
TES | TESTOSTERONE | A,B | 1J96 | 0.71 | |
TES | TESTOSTERONE | A | 2Q7K | 0.71 | |
TES | TESTOSTERONE | A,B | 1Q13 | 0.71 | |
TES | TESTOSTERONE | H | 1I9J | 0.71 | |
TES | TESTOSTERONE | A,B | 1AFS | 0.71 | |
TES | TESTOSTERONE | H | 1VPO | 0.71 | |
TES | TESTOSTERONE | A | 2Q7J | 0.71 | |
TES | TESTOSTERONE | A,B | 3BUR | 0.71 | |
TES | TESTOSTERONE | A | 2AM9 | 0.71 | |
TT2 | (1R,3R,7E,17beta)-17-{(1S,2E,5R)- 5-hydroxy-1-methyl-5-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]pent- 2-en-1-yl}-2-methylidene-9,10-secoestra- 5,7-diene-1,3-diol | A | 2ZMI | 0.83 | |
C3O | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAS | 0.92 | |
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 | 1 | |
MC9 | CALCIPOTRIOL | A | 1S19 | 0.91 | |
NEX | A,B,C,D,E,F, G,H,I,J | 1RWT | 0.79 | ||
NEX | A,B,C | 2BHW | 0.79 | ||
DOG | DIGOXIGENIN | A | 1LKE | 0.74 | |
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 | 1 | |
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 | 1 | |
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 | 1 | |
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 | 1 | |
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 | 1 | |
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 | 1 | |
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 | 1 | |
VD5 | (1R,3R,7E,17E)-17-(5-hydroxy-1,5- dimethylhexylidene)-2-methylene- 9,10-secoestra-5,7-diene-1,3-diol | A | 2O4R | 0.97 | |
DTX | DIGITOXIGENIN | A | 1LNM | 0.73 | |
NYA | (1R,3R,7E,17beta)-17-{(1R,2E,4R)- 4-hydroxy-1-methyl-4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]but- 2-en-1-yl}-2-methylidene-9,10-secoestra- 5,7-diene-1,3-diol | A | 2ZMH | 0.82 | |
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 | 0.78 | |
C33 | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 1 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | A,D | 1R1K | 0.72 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,U | 1Z5X | 0.72 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,F,G,H | 2NXX | 0.72 | |
D2V | (3S,5Z,7E,22E)-9,10-secoergosta- 5,7,10,22-tetraen-3-ol | A,B | 3CZH | 0.86 |