Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02825497
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 |
3ON | (3R)-3-HYDROXY-8'-APOCAROTENOL | A,B,C,D | 2BIW | 0.84 | |
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 | |
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 | 0.81 | |
V2H | (1S,3R,5Z,7E,22E)-9,10-secoergosta- 5,7,10,22-tetraene-1,3-diol | A,B | 3DL9 | 0.71 | |
HEQ | 3-[18-(4-HYDROXY-2,6,6-TRIMETHYL- CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL- OCTADECA-1,3,5,7,9,11,13,15, 17- NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX- 2-ENONE | A,B | 1M98 | 0.73 | |
VDY | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL | A,B | 1J78 | 0.77 | |
VDY | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL | A,D | 1MZ9 | 0.77 | |
ATE | 16,17-ANDROSTENE-3-OL | A,B | 1XNX | 0.74 | |
CLR | CHOLESTEROL | A,B | 2ZXE | 0.74 | |
CLR | CHOLESTEROL | A | 1N83 | 0.74 | |
CLR | CHOLESTEROL | A | 2RH1 | 0.74 | |
CLR | CHOLESTEROL | A | 1LRI | 0.74 | |
CLR | CHOLESTEROL | A | 1ZHY | 0.74 | |
CLR | CHOLESTEROL | A | 3D4S | 0.74 | |
O1C | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HB7 | 0.71 | |
LSR | 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta- 1,3-dien-1-yl]cyclohexene | A | 3CR6 | 0.71 | |
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 | 0.79 | |
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 | 0.74 | |
ERG | ERGOSTEROL | A | 1BXM | 0.79 | |
ERG | ERGOSTEROL | A | 1ZHZ | 0.79 | |
ERG | ERGOSTEROL | A,B | 2AIB | 0.79 | |
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 | 0.76 | |
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 | 0.76 | |
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 | 0.73 | |
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 | |
HC3 | 25-HYDROXYCHOLESTEROL | A | 1ZHX | 0.72 | |
HCR | 7-HYDROXYCHOLESTEROL | A | 1ZHT | 0.7 | |
AXT | ASTAXANTHIN | A,B | 1GKA | 0.7 | |
HC2 | 20-HYDROXYCHOLESTEROL | A | 1ZHW | 0.72 | |
RTL | RETINOL | A | 1IIU | 0.8 | |
RTL | RETINOL | A | 1KT7 | 0.8 | |
RTL | RETINOL | A | 1KT3 | 0.8 | |
RTL | RETINOL | A | 1KT5 | 0.8 | |
RTL | RETINOL | A | 1CRB | 0.8 | |
RTL | RETINOL | A | 1HBP | 0.8 | |
RTL | RETINOL | A | 1EII | 0.8 | |
RTL | RETINOL | A | 1KT6 | 0.8 | |
RTL | RETINOL | A | 1BRP | 0.8 | |
RTL | RETINOL | E,F | 1QAB | 0.8 | |
RTL | RETINOL | E,F | 3BSZ | 0.8 | |
RTL | RETINOL | A,B | 1FML | 0.8 | |
RTL | RETINOL | A | 1KT4 | 0.8 | |
RTL | RETINOL | A | 1RBP | 0.8 | |
RTL | RETINOL | A | 1KGL | 0.8 | |
RTL | RETINOL | A | 1MX8 | 0.8 | |
RTL | RETINOL | A,B | 1FMJ | 0.8 | |
RTL | RETINOL | B | 1FBM | 0.8 | |
RTL | RETINOL | A | 1KQW | 0.8 | |
RTL | RETINOL | A | 2RCT | 0.8 | |
RTL | RETINOL | A | 1AQB | 0.8 | |
RTL | RETINOL | A | 1GX8 | 0.8 | |
BOM | HEXADECA-10,12-DIEN-1-OL | A,B | 1DQE | 0.75 | |
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 | |
LAN | LANOSTEROL | A | 1W6K | 0.74 | |
C33 | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 0.72 | |
D2V | (3S,5Z,7E,22E)-9,10-secoergosta- 5,7,10,22-tetraen-3-ol | A,B | 3CZH | 0.78 |