Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03727727
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 |
CBW | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.71 | |
5OP | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID | A | 2ZB4 | 0.71 | |
5OP | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID | A,B | 1V3V | 0.71 | |
FUA | FUSIDIC ACID | A | 1QCA | 0.77 | |
FUA | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.77 | |
FUA | FUSIDIC ACID | A,B | 2VUF | 0.77 | |
SWI | SWINHOLIDE A | A,B | 1YXQ | 0.72 | |
9OH | (TRANS-12,13-EPOXY)-9-HYDROXY-10(E)- OCTADECENOIC ACID | A | 1IK3 | 0.74 | |
8PG | (8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID | A,B | 2G5W | 0.81 | |
SIM | SIMVASTATIN | A,B,C,D | 1HW9 | 0.7 | |
FUG | FUMAGILLIN | A,B | 3FMQ | 0.81 | |
FUG | FUMAGILLIN | A | 1BOA | 0.81 | |
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 | 0.72 | |
114 | COMPACTIN | A,B,C,D | 1HW8 | 0.72 | |
164 | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY- CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID | A | 1R6W | 0.74 | |
803 | LOVASTATIN | A,B | 1CQP | 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 | 0.7 | |
DOG | DIGOXIGENIN | A | 1LKE | 0.72 | |
E2P | PROSTAGLANDIN B2 | A | 1CZ2 | 0.72 | |
PG2 | PROSTAGLANDIN D2 | A,B | 1RY0 | 0.75 | |
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 | 0.74 | |
MEI | (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA- 2,4-DIENOIC ACID | A,B | 1UHL | 0.78 | |
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 | 0.74 | |
PID | PERIDININ | A | 2C9E | 0.72 | |
PID | PERIDININ | M,N,O | 1PPR | 0.72 | |
DTX | DIGITOXIGENIN | A | 1LNM | 0.72 | |
CBO | CARBENOXOLONE | A,B,C,D | 1HDC | 0.71 | |
CBO | CARBENOXOLONE | A,B,C,D | 2BEL | 0.71 | |
MRC | MUPIROCIN | A | 1JZS | 0.75 | |
MRC | MUPIROCIN | A,T | 1FFY | 0.75 | |
MRC | MUPIROCIN | A | 1QU3 | 0.75 | |
MRC | MUPIROCIN | A,T | 1QU2 | 0.75 | |
OPD | 9R,13R-12-OXOPHYTODIENOIC ACID | A,B | 1ICQ | 0.73 | |
SRN | SORANGICIN A | C,D | 1YNJ | 0.73 | |
RGC | REIDISPONGIOLIDE C | A | 2ASP | 0.76 | |
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 | |
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 | 0.71 | |
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 | 0.8 | |
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 | 0.8 | |
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 | 0.8 |