Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03362035
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 |
EAL | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)- L-PROLINE | A | 1UZE | 0.71 | |
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.78 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.72 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.72 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.72 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.72 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.72 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.72 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.72 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.72 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.72 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.72 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.72 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.72 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.72 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.72 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.72 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.72 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.72 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.72 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.72 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.72 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.72 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.72 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.72 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.72 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.72 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.72 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.72 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.72 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.72 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.72 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.72 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.72 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.72 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.72 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.72 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.72 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.72 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.72 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.72 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.72 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.72 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.72 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.72 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.72 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.72 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.72 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.72 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.72 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.72 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.72 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.72 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.72 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.72 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.72 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.72 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.72 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.72 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.72 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.72 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.72 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.72 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.72 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.72 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.72 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.72 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.72 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1O0D | 0.72 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FES | 0.72 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2ANK | 0.72 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FEQ | 0.72 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2A2X | 0.72 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1NZQ | 0.72 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.7 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.8 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.76 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.76 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.77 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.7 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.82 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.82 | |
GGC | 1-MENAPHTHYL GLUTATHIONE CONJUGATE | A,B | 3LJR | 0.73 | |
T29 | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.73 | |
IGL | ALPHA-AMINO-2-INDANACETIC ACID | A | 1BDK | 0.71 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 1J36 | 0.71 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 2C6N | 0.71 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A | 1O86 | 0.71 | |
IOY | P-IODO-D-PHENYLALANINE | A | 1XBU | 0.7 | |
002 | N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)- 4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE | A,B | 2FV9 | 0.71 | |
LHY | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.71 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.73 | |
CXA | PHENYLALANINE-N-SULFONAMIDE | A | 1IY7 | 0.7 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.71 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.73 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.74 | |
PBB | S-(4-BROMOBENZYL)CYSTEINE | A,B,C,D | 1AQV | 0.75 | |
FBD | N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)- L-glutamic acid | A | 3D7D | 0.73 | |
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.73 | |
TPR | TOSYL-D-PROLINE | A | 1F4E | 0.72 | |
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 | 0.77 | |
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 | 0.77 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.79 | |
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.7 | |
R1F | 3-{[(2,2,5,5-TETRAMETHYL-1-OXO- 4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM- 3-YL)METHYL]DISULFANYL}-D-ALANINE | A | 1ZUR | 0.79 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.78 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.7 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.7 | |
FRF | PHE-REDUCED-PHE | A,I | 1GVX | 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 | 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 | |
OAP | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.81 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 3F3C | 0.7 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,E,F | 2UUE | 0.7 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 1ZNT | 0.7 | |
PFF | 4-FLUORO-L-PHENYLALANINE | F,H | 1OL1 | 0.7 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,F,H | 2C5V | 0.7 | |
PFF | 4-FLUORO-L-PHENYLALANINE | E,F | 1OL2 | 0.7 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.78 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.78 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.78 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.71 | |
TIN | A,B | 1N94 | 0.73 | ||
ZED | L-PROLINE, 1-[(2S)-3-MERCAPTO-2- METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)- , 4S | A | 2EWB | 0.72 | |
INF | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.71 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.76 | |
PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.76 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.76 | |
GBI | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.74 | |
SBD | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 3VSB | 0.7 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.73 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.73 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.71 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.71 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.75 | |
SEB | O-BENZYLSULFONYL-SERINE | A,B,C,D | 2APJ | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1IAV | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A,B | 1IEC | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1ZIY | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1C9N | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1ZJ4 | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1GGV | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1Q5P | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1PQA | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1ZJ5 | 0.71 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1C9M | 0.71 | |
IBG | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.74 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 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 | B | 1GM8 | 0.78 | |
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 | 0.78 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.73 | |
TST | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.72 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.74 | |
PHI | IODO-PHENYLALANINE | A | 1TF9 | 0.7 | |
PHI | IODO-PHENYLALANINE | A,B,C,D | 1ORW | 0.7 | |
PHI | IODO-PHENYLALANINE | A | 1T6H | 0.7 | |
PHI | IODO-PHENYLALANINE | A,B,C | 1NLU | 0.7 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA1 | 0.7 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA4 | 0.7 | |
PHI | IODO-PHENYLALANINE | P | 1CZI | 0.7 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.71 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.7 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.79 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.79 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.79 | |
PNN | PENICILLIN G | B | 1FXV | 0.79 | |
PNN | PENICILLIN G | A | 1UOF | 0.79 | |
PNN | PENICILLIN G | A | 1UOB | 0.79 | |
SBL | L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 1AV7 | 0.7 | |
BIR | N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]- 2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE | A | 1R1H | 0.71 | |
BIR | N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]- 2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE | L | 3B7R | 0.71 |