Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03177399
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 |
TH2 | TESTOSTERONE HEMISUCCINATE | A,B | 2CBT | 0.73 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A,B,C,D,E,F | 2CBQ | 0.73 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A | 2CBO | 0.73 | |
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 | 0.71 | |
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 | |
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 | 0.73 | |
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 | 0.73 | |
AUR | AUROVERTIN B | A,B,C,D,E,F | 1COW | 0.73 | |
SIH | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.71 | |
HCR | 7-HYDROXYCHOLESTEROL | A | 1ZHT | 0.71 | |
TES | TESTOSTERONE | A | 1JTV | 0.7 | |
TES | TESTOSTERONE | A | 2Q7L | 0.7 | |
TES | TESTOSTERONE | A | 2Q7I | 0.7 | |
TES | TESTOSTERONE | A,B | 1J96 | 0.7 | |
TES | TESTOSTERONE | A | 2Q7K | 0.7 | |
TES | TESTOSTERONE | A,B | 1Q13 | 0.7 | |
TES | TESTOSTERONE | H | 1I9J | 0.7 | |
TES | TESTOSTERONE | A,B | 1AFS | 0.7 | |
TES | TESTOSTERONE | H | 1VPO | 0.7 | |
TES | TESTOSTERONE | A | 2Q7J | 0.7 | |
TES | TESTOSTERONE | A,B | 3BUR | 0.7 | |
TES | TESTOSTERONE | A | 2AM9 | 0.7 | |
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 | |
DGX | DIGOXIN | B,D | 1IGJ | 0.75 | |
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 | 0.71 | |
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 | 0.72 | |
SWI | SWINHOLIDE A | A,B | 1YXQ | 0.75 | |
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 | 0.7 | |
C3O | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAS | 0.71 | |
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 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | |
DTX | DIGITOXIGENIN | A | 1LNM | 0.86 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPG | 0.7 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPJ | 0.7 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPF | 0.7 | |
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 | |
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 | 0.71 | |
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 | |
OCC | 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HAR | 0.71 | |
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 | 0.71 | |
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 | |
V2H | (1S,3R,5Z,7E,22E)-9,10-secoergosta- 5,7,10,22-tetraene-1,3-diol | A,B | 3DL9 | 0.72 | |
EB1 | SEOCALCITOL | A | 1S0Z | 0.72 | |
PID | PERIDININ | A | 2C9E | 0.77 | |
PID | PERIDININ | M,N,O | 1PPR | 0.77 | |
CBW | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 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 | |
OBN | OUABAIN | H,L | 1IBG | 0.78 | |
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 | |
ERG | ERGOSTEROL | A | 1BXM | 0.72 | |
ERG | ERGOSTEROL | A | 1ZHZ | 0.72 | |
ERG | ERGOSTEROL | A,B | 2AIB | 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 | 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 | |
MC9 | CALCIPOTRIOL | A | 1S19 | 0.72 | |
DOG | DIGOXIGENIN | A | 1LKE | 0.85 | |
O1C | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HB7 | 0.73 | |
PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EAU | 0.7 | |
PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EB3 | 0.7 | |
PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EB4 | 0.7 | |
PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A,B | 2AAX | 0.7 | |
PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 1H61 | 0.7 | |
PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A,B | 3CMF | 0.7 | |
PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 2Q1V | 0.7 | |
C33 | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 0.72 | |
FUG | FUMAGILLIN | A,B | 3FMQ | 0.72 | |
FUG | FUMAGILLIN | A | 1BOA | 0.72 |