Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03463490
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 |
RGS | 4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDE | A | 4GR1 | 0.73 | |
074 | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.77 | |
SUO | N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE | A,B,C,D | 1YNH | 0.71 | |
2Z9 | N-acetyl-L-alpha-aspartyl-L-alpha- glutamyl-N-[(1R)-2-carboxy-1-formylethyl]- L-valinamide | A,B | 3H1P | 0.76 | |
76V | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE | A | 2DCB | 0.77 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A,B | 3HY7 | 0.73 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A,B | 2JIH | 0.73 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A | 1R55 | 0.73 | |
1IP | N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE | A,B,C,D | 2IPO | 0.7 | |
AHB | BETA-HYDROXYASPARAGINE | A | 1DSR | 0.71 | |
AHB | BETA-HYDROXYASPARAGINE | A,G | 1NT0 | 0.71 | |
AHB | BETA-HYDROXYASPARAGINE | A | 2ZGD | 0.71 | |
AHB | BETA-HYDROXYASPARAGINE | A,B | 2QC9 | 0.71 | |
AHB | BETA-HYDROXYASPARAGINE | A | 2OG7 | 0.71 | |
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 | 0.79 | |
NSK | N-SUCCINYL LYSINE | A | 2P8B | 0.7 | |
LNT | N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine | A,B,C | 3B80 | 0.77 | |
LNT | N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine | A,B,C | 3B7V | 0.77 | |
168 | PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACID | A,B,C,D | 1OU6 | 0.72 | |
PAU | PANTOTHENOIC ACID | A,B | 2F9W | 0.76 | |
PAU | PANTOTHENOIC ACID | A,B,C,D,E,F | 3BF1 | 0.76 | |
PAU | PANTOTHENOIC ACID | A,B,C,D | 1SQ5 | 0.76 | |
PAU | PANTOTHENOIC ACID | A,B,C,D,E,F | 3BEX | 0.76 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1AEC | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B | 2PRE | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1CV8 | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 3C9E | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B | 3BCN | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1ATK | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B,C,D | 3BPF | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1TLO | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1QX6 | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1MEG | 0.8 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B,C,D | 2BDZ | 0.8 | |
OPI | PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID | A,B,C,D | 2VU1 | 0.74 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | A | 2G65 | 0.72 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | A | 2G6A | 0.72 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | A | 2G68 | 0.72 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | C,D,E,X,Y,Z | 2FG7 | 0.72 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | A | 2G6C | 0.72 | |
SN0 | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | C,D,E,X,Y,Z | 2FG6 | 0.72 | |
FEB | N~2~-[(3R)-3-hydroxydodecanoyl]- L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)- 3-methylbutyl]-L-glutamamide | 2,H,K,N,V,Y | 3D29 | 0.76 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
C6L | N-hexanoyl-L-homoserine | A | 3DHA | 0.72 | |
C6L | N-hexanoyl-L-homoserine | A | 3DHB | 0.72 | |
THC | N-METHYLCARBONYLTHREONINE | A,B,C | 1A7C | 0.76 | |
THC | N-METHYLCARBONYLTHREONINE | B | 2HR0 | 0.76 | |
THC | N-METHYLCARBONYLTHREONINE | L,P | 2MPA | 0.76 | |
THC | N-METHYLCARBONYLTHREONINE | L,P | 1MPA | 0.76 | |
MEN | N-METHYL ASPARAGINE | A,B,K,L | 1B8D | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X | 1GH0 | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D | 1XF6 | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D,E,F, H,I,J,K,L,M | 1B33 | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B | 1I7Y | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B | 3BRP | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B | 1JBO | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B | 1ALL | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,K,L | 1EYX | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X | 1HA7 | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D | 2VJH | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B | 1KTP | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B | 1PHN | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D | 1QGW | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D | 1XG0 | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B | 2VJT | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D,E,F, K,L,M,N,O,P | 2BV8 | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B | 2V8A | 0.71 | |
MEN | N-METHYL ASPARAGINE | A,B,C,D,E,F, G,H | 3DBJ | 0.71 | |
EP2 | methyl N-[(2S)-4-{[(1S)-1-{[(2S)- 2-carboxypyrrolidin-1-yl]carbonyl}- 3-methylbutyl]amino}-2-hydroxy- 4-oxobutanoyl]-L-leucylglycylglycinate | B | 1SP4 | 0.71 | |
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 | 0.8 | |
PCV | 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN- 1-YL)-PENTANOIC ACID | A | 1DRT | 0.7 | |
6PR | (S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACID | A,B,C,D | 2H3E | 0.7 | |
LAA | (3R)-3-hydroxy-L-alpha-asparagine | A | 1CCF | 0.71 | |
PT3 | N-PROPYL-TARTRAMIC ACID | A,B,C,D | 2HPA | 0.74 | |
U17 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE | A | 2GGB | 0.76 | |
042 | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE | A | 2DC7 | 0.78 | |
ATI | N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACID | A | 1Y0Y | 0.8 | |
75V | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE | A | 2DCA | 0.78 | |
IVS | 3-HYDROXY-6-METHYL-4-(3-METHYL- 2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)- BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER | A,B | 1ME6 | 0.75 | |
59A | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-ISOLEUCINE | A | 2DC8 | 0.75 | |
SUJ | (2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY- 2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID | C,D | 1OKX | 0.72 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PPP | 0.86 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PE6 | 0.86 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1ITO | 0.86 | |
AMK | (S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL- 1-((S)-1-{(S)-[(1R,2R)-2-((S)-1- CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]- HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)- ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}- BUTYRIC ACID | A,B,C | 1YM4 | 0.71 |