Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01253399
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 |
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 | 0.73 |  |
| 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 | 1UNB | 0.73 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.74 | |
| TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.74 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.71 | |
| GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.71 | |
KAF | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.71 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.72 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.72 | |
| PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.72 | |
| PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.72 | |
NDL | N-BENZOYL-L-NORLEUCYL-L-LYSYL-L- ARGINYL-L-ARGININE | B | 2FP7 | 0.71 | |
MS2 | 2,2-DICHLORO-1-METHANESULFINYL- 3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1- (4-BROMO-PHENYL)-ETHYL]-AMIDE | A,B,C | 6STD | 0.76 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.71 | |
YC2 | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}- L-glutamic acid | A | 3D7H | 0.72 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.73 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.73 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.73 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.73 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.73 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.73 | |
| PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.73 | |
PBB | S-(4-BROMOBENZYL)CYSTEINE | A,B,C,D | 1AQV | 0.73 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.76 | |
S17 | methyl 4-bromo-N-[8-(hydroxyamino)- 8-oxooctanoyl]-L-phenylalaninate | A,B,C,D | 2VCG | 0.76 | |
TP3 | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE- SULFONYL-D-PROLINE | A,B | 1F4F | 0.7 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.83 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.75 | |
SAB | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.71 | |
FR1 | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3- TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN- 1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID | N | 1MMJ | 0.71 | |
BM5 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.71 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.71 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.71 | |
BSA | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.75 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.72 | |
ICX | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.72 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.75 | |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.71 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.74 | |
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 | 0.7 | |
| 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 | A,B | 1GM9 | 0.7 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.72 | |
| TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.72 | |
TIN | A,B | 1N94 | 0.78 | | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.71 | |
| PNN | PENICILLIN G | B | 1FXV | 0.71 | |
| PNN | PENICILLIN G | A | 1UOF | 0.71 | |
| PNN | PENICILLIN G | A | 1UOB | 0.71 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.77 | |
| DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.77 | |
| DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.77 | |
| DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.77 | |
B30 | {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2- )-KAPPAO}COPPER | A | 2FOV | 0.74 | |
| B30 | {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2- )-KAPPAO}COPPER | A,B | 2FOY | 0.74 | |
4BF | 4-BROMO-L-PHENYLALANINE | A | 2AG6 | 0.72 | |
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 | 0.73 | |
| 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 | 0.73 | |
| 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 | 0.73 | |
| 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 | 0.73 | |
B15 | [2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2- )-KAPPAO]COPPER | A | 2FOQ | 0.71 | |
STB | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.71 | |