Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03645568
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 |
OLN | (S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID | A | 1YH1 | 0.77 | |
X7O | 5-AMINO-3-METHYL-PYRROLIDINE-2- CARBOXYLIC ACID | A | 1L2Q | 0.72 | |
THC | N-METHYLCARBONYLTHREONINE | A,B,C | 1A7C | 0.72 | |
THC | N-METHYLCARBONYLTHREONINE | B | 2HR0 | 0.72 | |
THC | N-METHYLCARBONYLTHREONINE | L,P | 2MPA | 0.72 | |
THC | N-METHYLCARBONYLTHREONINE | L,P | 1MPA | 0.72 | |
0AG | N-(ethoxycarbonyl)-L-leucine | I,J | 1PSA | 0.84 | |
MCL | NZ-(1-CARBOXYETHYL)-LYSINE | A,B | 1O5K | 0.71 | |
MCL | NZ-(1-CARBOXYETHYL)-LYSINE | A,B | 3CPR | 0.71 | |
MCL | NZ-(1-CARBOXYETHYL)-LYSINE | A,B | 2VC6 | 0.71 | |
074 | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.7 | |
MNL | 4,N-DIMETHYLNORLEUCINE | C | 1CWC | 0.74 | |
AAG | N-ALPHA-L-ACETYL-ARGININE | A | 1DRY | 0.71 | |
TMD | (6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N- DIMETHYL-THREONINE | C | 1CWK | 0.73 | |
AOR | N~2~-ACETYL-L-ORNITHINE | A | 1ZQ6 | 0.71 | |
CDV | 3-METHYL-2-UREIDO-BUTYRIC ACID | B | 1UF7 | 0.79 | |
NC6 | 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID | A | 1ZD4 | 0.71 | |
LBY | N~6~-(TERT-BUTOXYCARBONYL)-L-LYSINE | A | 2ZIN | 0.72 | |
MUD | N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}- L-glutamic acid | A | 3D7G | 0.73 | |
ATI | N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACID | A | 1Y0Y | 0.73 | |
CLH | 2-AMINO-6-[2-(2-OXO-ACETYLAMINO)- ACETYLAMINO]-HEXANOIC ACID | A,B | 1K09 | 0.7 | |
MHL | N-METHYL-4-HYDROXY-LEUCINE | C | 1CWL | 0.72 | |
U17 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE | A | 2GGB | 0.72 | |
NCB | N-CARBAMOYL-ALANINE | A,B,C,D,E,F, G,H,I,J | 1QMV | 0.7 | |
REZ | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID | A,B | 2J9P | 0.71 | |
REZ | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID | A,B,C,D | 2VGK | 0.71 | |
DNG | N-FORMYL-D-NORLEUCINE | A,B | 1S4A | 0.71 | |
DLS | DI-ACETYL-LYSINE | A,B,C,D,E,F | 1FVM | 0.74 | |
IML | N-METHYL-ISOLEUCINE | C | 1CWM | 0.74 | |
CCL | N~6~-[(CYCLOPENTYLOXY)CARBONYL]- D-LYSINE | A | 2Q7G | 0.72 | |
IVS | 3-HYDROXY-6-METHYL-4-(3-METHYL- 2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)- BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER | A,B | 1ME6 | 0.72 | |
HLU | BETA-HYDROXYLEUCINE | A | 1ROV | 0.71 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 3EMY | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 2H6T | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1LS5 | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1SME | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,C | 1W6I | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1XDH | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 2QZX | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 1IZE | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1M43 | 0.7 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PPP | 0.77 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PE6 | 0.77 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1ITO | 0.77 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | A | 2G65 | 0.71 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | A | 2G6A | 0.71 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | A | 2G68 | 0.71 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | C,D,E,X,Y,Z | 2FG7 | 0.71 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | A | 2G6C | 0.71 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | C,D,E,X,Y,Z | 2FG6 | 0.71 | |
SVC | N-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE | A,B | 3BPM | 0.74 | |
NC3 | N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE | P | 1ZD2 | 0.7 | |
5FP | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2- (5,5,5-TRIFLUORO-3-HYDROXY-4-{3- METHYL-2-[3-METHYL-2-(3-METHYL- BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}- PENTANOYLAMINO)-PROPIONYLAMINO]- PENTANOIC ACID | A,B | 1XE6 | 0.71 | |
AN0 | N-ACETYL-L-NORVALINE | C,D,E,X,Y,Z | 2G7M | 0.72 | |
AN0 | N-ACETYL-L-NORVALINE | A | 1ZQ8 | 0.72 | |
MLE | N-METHYLLEUCINE | A,D | 2J9A | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1IKF | 0.76 | |
MLE | N-METHYLLEUCINE | A,M,N | 2Z6W | 0.76 | |
MLE | N-METHYLLEUCINE | B,D,F,H,J,L, N,P | 1C5F | 0.76 | |
MLE | N-METHYLLEUCINE | D,E,F | 1XQ7 | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWA | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWF | 0.76 | |
MLE | N-METHYLLEUCINE | B,D,F,H,J,L, N,P,R,T | 2RMB | 0.76 | |
MLE | N-METHYLLEUCINE | B | 3CYS | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWH | 0.76 | |
MLE | N-METHYLLEUCINE | A,B,C,D,E,F, G,H | 3BO7 | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CYN | 0.76 | |
MLE | N-METHYLLEUCINE | A | 1LV9 | 0.76 | |
MLE | N-METHYLLEUCINE | C,D | 2OJU | 0.76 | |
MLE | N-METHYLLEUCINE | B,D,F,H,J,L, N,P,R,T | 2RMA | 0.76 | |
MLE | N-METHYLLEUCINE | A | 1IKM | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWK | 0.76 | |
MLE | N-METHYLLEUCINE | A,B | 2HG8 | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWB | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWJ | 0.76 | |
MLE | N-METHYLLEUCINE | A | 1CYB | 0.76 | |
MLE | N-METHYLLEUCINE | D | 1QNG | 0.76 | |
MLE | N-METHYLLEUCINE | B | 1MIK | 0.76 | |
MLE | N-METHYLLEUCINE | A | 1CSA | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWL | 0.76 | |
MLE | N-METHYLLEUCINE | A | 1CYA | 0.76 | |
MLE | N-METHYLLEUCINE | A,B,D | 1MF8 | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1BCK | 0.76 | |
MLE | N-METHYLLEUCINE | A,B,D,E,F,H | 1M63 | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWC | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWI | 0.76 | |
MLE | N-METHYLLEUCINE | C,D | 1QNH | 0.76 | |
MLE | N-METHYLLEUCINE | B,D,F,H | 2RMC | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWM | 0.76 | |
MLE | N-METHYLLEUCINE | T,U,V | 2POY | 0.76 | |
MLE | N-METHYLLEUCINE | A,B,C,D,E,F, I,J,K,L,M,N | 2ESL | 0.76 | |
MLE | N-METHYLLEUCINE | C | 1CWO | 0.76 | |
MLE | N-METHYLLEUCINE | A | 1IKL | 0.76 | |
C99 | {(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]- 2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN- 1-YL}ACETIC ACID | A | 2HCG | 0.72 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1AEC | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B | 2PRE | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1CV8 | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 3C9E | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B | 3BCN | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1ATK | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B,C,D | 3BPF | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1TLO | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1QX6 | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1MEG | 0.75 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B,C,D | 2BDZ | 0.75 | |
C6L | N-hexanoyl-L-homoserine | A | 3DHA | 0.73 | |
C6L | N-hexanoyl-L-homoserine | A | 3DHB | 0.73 | |
CIR | CITRULLINE | A,B,C,D | 1J21 | 0.72 | |
CIR | CITRULLINE | B | 1KOD | 0.72 | |
CIR | CITRULLINE | A,B,C | 3B3I | 0.72 | |
CIR | CITRULLINE | C | 3DTX | 0.72 | |
CIR | CITRULLINE | A | 2C6Z | 0.72 | |
CIR | CITRULLINE | A,C,E,F | 2W65 | 0.72 | |
CIR | CITRULLINE | A,B | 2JAI | 0.72 | |
CIR | CITRULLINE | P | 3FT2 | 0.72 | |
CIR | CITRULLINE | A,B,C,D | 1J1Z | 0.72 | |
CIR | CITRULLINE | A,B | 1LXY | 0.72 | |
CIR | CITRULLINE | F,H | 1OL1 | 0.72 | |
CIR | CITRULLINE | A | 1KP3 | 0.72 | |
CIR | CITRULLINE | A | 2NZ2 | 0.72 | |
CIR | CITRULLINE | A | 1H70 | 0.72 | |
CIR | CITRULLINE | A | 1K97 | 0.72 | |
CIR | CITRULLINE | C | 3B6S | 0.72 | |
LNT | N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine | A,B,C | 3B80 | 0.79 | |
LNT | N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine | A,B,C | 3B7V | 0.79 | |
5FE | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2- (5,5,5-TRIFLUORO-3-HYDROXY-4-{3- METHYL-2-[3-METHYL-2-(3-METHYL- BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}- PENTANOYLAMINO)-PROPIONYLAMINO]- PENTANOIC ACID METHYL ESTER | A,B | 1XE5 | 0.7 |