Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00077090
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 |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.8 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.71 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.72 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.72 | |
IZD | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.7 | |
AO1 | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL- ((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE | A | 1R5G | 0.71 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.71 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.75 | |
PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.75 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.75 | |
BM5 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.71 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.75 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.75 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.72 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.72 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.76 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.72 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.74 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.7 | |
IBG | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.7 | |
GBI | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.7 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.71 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.7 |