Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727112
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 |
AS0![]() | 4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME | A | 2OVH | 0.78 | ![]() |
AS0![]() | 4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME | A | 2OVM | 0.78 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.72 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.7 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.7 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.7 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.7 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.72 | ![]() |
E04![]() | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | A | 1ZQ5 | 0.76 | ![]() |
SIH![]() | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.71 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.73 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.73 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.76 | ![]() |
ENM![]() | (5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | A | 2PNU | 0.78 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.7 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.7 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.74 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.73 | ![]() |
EQI![]() | EQUILIN | A,B | 1EQU | 0.72 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A,B | 2CBT | 0.72 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A,B,C,D,E,F | 2CBQ | 0.72 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A | 2CBO | 0.72 | ![]() |
HE7![]() | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.73 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.72 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.74 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.74 | ![]() |
MQ8![]() | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.7 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | 0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z | 1QZV | 0.72 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.71 | ![]() |
2OB![]() | CHOLESTERYL OLEATE | A | 2OBD | 0.72 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.7 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.72 | ![]() |
MUF![]() | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.74 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.74 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.73 | ![]() |
CLL![]() | CHOLESTERYL LINOLEATE | A,B | 1CLE | 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 | ![]() |
L79![]() | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.78 | ![]() |