Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01730645
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 |
CRJ | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)- 5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)- N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4- FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | A,B | 2FQ9 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.7 | |
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 | 0.74 | |
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 | 0.74 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.71 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.72 | |
PNN | PENICILLIN G | B | 1FXV | 0.72 | |
PNN | PENICILLIN G | A | 1UOF | 0.72 | |
PNN | PENICILLIN G | A | 1UOB | 0.72 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.74 | |
PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.74 | |
PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.74 | |
PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.74 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.74 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.74 | |
PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.74 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.73 | |
PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.73 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.73 | |
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.71 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.7 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.7 | |
C28 | N-[1-(AMINOMETHYL)CYCLOPROPYL]- 3-(MORPHOLIN-4-YLSULFONYL)-N~2~- [(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]- L-ALANINAMIDE | A,B | 2FT2 | 0.7 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.7 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.7 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.7 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.71 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.7 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.7 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.75 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.75 | |
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 | 0.74 | |
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,B,C,D | 1NX9 | 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 | 1H8S | 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 | 2EX6 | 0.74 | |
A21 | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}- 5-methyl-5-(trifluoromethyl)-1,3- thiazol-4(5H)-one | A,B,C,D | 3BZU | 0.73 | |
F1K | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 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 | 0.72 | |
F1J | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.71 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.77 |