Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00470270
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 |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.72 | ![]() |
PNN![]() | PENICILLIN G | A,B | 1GM7 | 0.74 | ![]() |
PNN![]() | PENICILLIN G | B | 1FXV | 0.74 | ![]() |
PNN![]() | PENICILLIN G | A | 1UOF | 0.74 | ![]() |
PNN![]() | PENICILLIN G | A | 1UOB | 0.74 | ![]() |
AIC![]() | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2RDD | 0.76 | ![]() |
AIC![]() | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A,B,C,D | 1NX9 | 0.76 | ![]() |
AIC![]() | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1H8S | 0.76 | ![]() |
AIC![]() | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2EX6 | 0.76 | ![]() |
IBG![]() | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.71 | ![]() |
TI1![]() | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.72 | ![]() |
TI1![]() | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.72 | ![]() |
PG1![]() | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.74 | ![]() |
PG1![]() | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.74 | ![]() |
PG1![]() | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.74 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1GHP | 0.75 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1PWC | 0.75 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.75 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1FQG | 0.75 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.75 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.75 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.75 | ![]() |
GBI![]() | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.71 | ![]() |
R1F![]() | 3-{[(2,2,5,5-TETRAMETHYL-1-OXO- 4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM- 3-YL)METHYL]DISULFANYL}-D-ALANINE | A | 1ZUR | 0.73 | ![]() |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.7 | ![]() |
TI3![]() | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.71 | ![]() |
BCS![]() | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.75 | ![]() |
BCS![]() | BENZYLCYSTEINE | A | 1EH8 | 0.75 | ![]() |
OIR![]() | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.71 | ![]() |
MN2![]() | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.74 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.7 | ![]() |
GSB![]() | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.73 | ![]() |
GSB![]() | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.73 | ![]() |
PN1![]() | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1W2N | 0.76 | ![]() |
PN1![]() | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1UNB | 0.76 | ![]() |
G23![]() | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.78 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.7 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.7 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.7 | ![]() |
SOX![]() | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)- 4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~- THIA-1-AZABICYCLO[3.2.0]HEPT-6- YL]-2-PHENYLACETAMIDE | B | 1GM8 | 0.72 | ![]() |
SOX![]() | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)- 4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~- THIA-1-AZABICYCLO[3.2.0]HEPT-6- YL]-2-PHENYLACETAMIDE | A,B | 1GM9 | 0.72 | ![]() |