Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03480893
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 |
803 | LOVASTATIN | A,B | 1CQP | 0.73 | |
ZBA | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A | 2RKV | 0.71 | |
ZBA | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A,B,C,D | 2ZBA | 0.71 | |
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 | |
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 | |
0AS | asiatic acid | A | 2QN1 | 0.73 | |
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 | 0.7 | |
SIM | SIMVASTATIN | A,B,C,D | 1HW9 | 0.75 | |
SIH | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.71 | |
PGX | 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)- 2,3-DIOXA-BICYCLO[2.2.1]HEPT-5- YL]-HEPT-5-ENOIC ACID | A,B,C,D | 1DDX | 0.82 | |
2OB | CHOLESTERYL OLEATE | A | 2OBD | 0.71 | |
PLO | (3BETA)-3-HYDROXYPREGN-5-EN-20- ONE | A | 1Q20 | 0.71 | |
DOG | DIGOXIGENIN | A | 1LKE | 0.71 | |
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 | 0.78 | |
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 | 0.78 | |
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 | 0.78 | |
O1C | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25- DIHYDROXYVITAMIN D3 | A | 2HB7 | 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 | 0.71 | |
CLL | CHOLESTERYL LINOLEATE | A,B | 1CLE | 0.71 | |
PIE | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL | A,B,C,D | 1UW5 | 0.72 | |
PIE | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL | A,C,D,E | 1KB9 | 0.72 | |
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 | 0.72 | |
PT5 | (1S)-2-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)- 2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}- 1-[(octadecanoyloxy)methyl]ethyl (8E,11E)- icosa-5,8,11,14-tetraenoate | A | 3GPE | 0.7 | |
OLC | (2R)-2,3-dihydroxypropyl (9Z)-octadec- 9-enoate | A | 3D4S | 0.73 | |
GMM | GLUCOSE MONOMYCOLATE | A | 1UQS | 0.76 | |
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 | 0.77 | |
114 | COMPACTIN | A,B,C,D | 1HW8 | 0.77 | |
FUA | FUSIDIC ACID | A | 1QCA | 0.75 | |
FUA | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.75 | |
FUA | FUSIDIC ACID | A,B | 2VUF | 0.75 | |
RCL | RICINOLEIC ACID | A | 2CM4 | 0.72 | |
RCL | RICINOLEIC ACID | A | 2CM9 | 0.72 | |
RCL | RICINOLEIC ACID | A | 1FK7 | 0.72 | |
0MA | maslinic acid | A | 2QN2 | 0.71 | |
CBW | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.7 | |
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 | 0.7 | |
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 | 0.7 | |
8PG | (8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID | A,B | 2G5W | 0.77 | |
MVD | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY- VITAMIN D3 | A | 2HB8 | 0.7 | |
E4H | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL- 4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC- 9-ENE-2,8-DIONE | A,B | 2HFK | 0.73 | |
OPD | 9R,13R-12-OXOPHYTODIENOIC ACID | A,B | 1ICQ | 0.72 | |
MRC | MUPIROCIN | A | 1JZS | 0.72 | |
MRC | MUPIROCIN | A,T | 1FFY | 0.72 | |
MRC | MUPIROCIN | A | 1QU3 | 0.72 | |
MRC | MUPIROCIN | A,T | 1QU2 | 0.72 | |
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 | 0.71 | |
C33 | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 0.7 | |
PG2 | PROSTAGLANDIN D2 | A,B | 1RY0 | 0.78 | |
5OP | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID | A | 2ZB4 | 0.74 | |
5OP | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID | A,B | 1V3V | 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 | 0.71 | |
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 | 0.7 | |
VDX | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 1RK3 | 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 | 1DB1 | 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 | 1IE9 | 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 | 2HC4 | 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 | 2ZLC | 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 | 3CV9 | 0.7 | |
B7N | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)- 2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}- 1-[(octadecanoyloxy)methyl]ethyl (9Z)- octadec-9-enoate | A | 3B7N | 0.72 | |
B7N | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)- 2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}- 1-[(octadecanoyloxy)methyl]ethyl (9Z)- octadec-9-enoate | A | 3B7Z | 0.72 | |
FUG | FUMAGILLIN | A,B | 3FMQ | 0.72 | |
FUG | FUMAGILLIN | A | 1BOA | 0.72 | |
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 | 0.71 |