Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00283319
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 |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2EEP | 0.75 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2Z3Z | 0.75 | |
IVS | 3-HYDROXY-6-METHYL-4-(3-METHYL- 2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)- BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER | A,B | 1ME6 | 0.71 | |
RO4 | [[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL- BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER | A | 2TCL | 0.7 | |
U17 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE | A | 2GGB | 0.74 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1AEC | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B | 2PRE | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1CV8 | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 3C9E | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B | 3BCN | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1ATK | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B,C,D | 3BPF | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1TLO | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1QX6 | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A | 1MEG | 0.71 | |
E64 | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE | A,B,C,D | 2BDZ | 0.71 | |
CLH | 2-AMINO-6-[2-(2-OXO-ACETYLAMINO)- ACETYLAMINO]-HEXANOIC ACID | A,B | 1K09 | 0.73 | |
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 | 0.73 | |
GCR | GALLICHROME | N | 1EFD | 0.71 | |
CR0 | [2-(1-AMINO-2-HYDROXYPROPYL)-2- HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO- 1H-IMIDAZOL-1-YL]ACETALDEHYDE | A | 1S6Z | 0.71 | |
CR0 | [2-(1-AMINO-2-HYDROXYPROPYL)-2- HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO- 1H-IMIDAZOL-1-YL]ACETALDEHYDE | A | 1Z1P | 0.71 | |
CR0 | [2-(1-AMINO-2-HYDROXYPROPYL)-2- HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO- 1H-IMIDAZOL-1-YL]ACETALDEHYDE | A | 1Z1Q | 0.71 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PPP | 0.79 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PE6 | 0.79 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1ITO | 0.79 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A,B | 3HY7 | 0.78 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A,B | 2JIH | 0.78 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A | 1R55 | 0.78 | |
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 | |
FCI | FERRICROCIN-IRON | A | 1FCP | 0.71 | |
FCI | FERRICROCIN-IRON | A,B | 2GRX | 0.71 | |
FCI | FERRICROCIN-IRON | A | 1QFF | 0.71 | |
0AG | N-(ethoxycarbonyl)-L-leucine | I,J | 1PSA | 0.72 | |
074 | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.73 | |
AR9 | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7- dimethyl-3,15-dioxo-1,4-diazacyclopentadecan- 5-yl]-4-hydroxy-2-methylbutanamide | A,B,C | 3DV1 | 0.71 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2B4D | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2OD9 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,C,P,Q | 2DVR | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,C,P,Q | 2DVS | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,C,P,Q | 2DVQ | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,C,D | 2OT7 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2B5G | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 2GIV | 0.7 | |
ALY | N(6)-ACETYLLYSINE | B | 2RNY | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 1JSP | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,I,L | 2V5W | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,D | 3D4B | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,C,D | 2OQ6 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2R0Y | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 3CZ7 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 1JM4 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2H4H | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2J6V | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2R10 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 1YC5 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,C,D | 2OX0 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2H2G | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,D | 2H4F | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 2OU2 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 1S5P | 0.7 | |
ALY | N(6)-ACETYLLYSINE | B | 2RNW | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 3D35 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2OD2 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 2ZFN | 0.7 | |
ALY | N(6)-ACETYLLYSINE | C,D | 2C1J | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2QQG | 0.7 | |
ALY | N(6)-ACETYLLYSINE | B | 2RNX | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 1MA3 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2H2H | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 2I2Z | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2OD7 | 0.7 | |
ALY | N(6)-ACETYLLYSINE | P | 1E6I | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 1SZC | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,C,D,I,J, K,L | 3EWF | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2H2D | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 1Q1A | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 1SZD | 0.7 | |
ALY | N(6)-ACETYLLYSINE | Q,R | 2E3K | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A | 2OZU | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B | 2QQF | 0.7 | |
ALY | N(6)-ACETYLLYSINE | A,B,C | 2R0V | 0.7 | |
FEB | N~2~-[(3R)-3-hydroxydodecanoyl]- L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)- 3-methylbutyl]-L-glutamamide | 2,H,K,N,V,Y | 3D29 | 0.74 | |
ATI | N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACID | A | 1Y0Y | 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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.73 | |
CIB | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1- (1-FORMYL-PENTYLCARBAMOYL)-3-METHYL- BUTYL]-AMIDE | H,I,J,K,L,M,N | 1J2Q | 0.77 | |
BB1 | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]- HEXANOIC ACID (1-DIMETHYLCARBAMOYL- 2,2-DIMETHYL-PROPYL)-AMIDE | A,B,C | 1G27 | 0.71 | |
C6L | N-hexanoyl-L-homoserine | A | 3DHA | 0.74 | |
C6L | N-hexanoyl-L-homoserine | A | 3DHB | 0.74 | |
SJ1 | N-(ISOBUTOXYCARBONYL)-D-SERYL-N- ((1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-FORMYLBUTYL)-L-ALANINAMIDE | U | 1W10 | 0.72 | |
SVC | N-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE | A,B | 3BPM | 0.75 | |
2NC | N-{(2S)-2-[(N-acetyl-L-threonyl- L-isoleucyl)amino]hexyl}-L-norleucyl- L-glutaminyl-L-argininamide | A,B | 3BVA | 0.71 |