Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00081320
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 | |
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.7 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.7 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | 2,3,4 | 8KME | 0.7 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | H,I,J | 7KME | 0.7 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.71 | |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.7 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.72 | |
F1K | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.7 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.71 | |
F1J | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.7 | |
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 | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.7 | |
A21 | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}- 5-methyl-5-(trifluoromethyl)-1,3- thiazol-4(5H)-one | A,B,C,D | 3BZU | 0.7 | |
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 | |
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 | |
GBI | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.7 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.77 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.77 |