Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01548208
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 |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.73 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.73 | |
SBX | 1-CYCLOHEXYL-3-PHENYL-1-PROPYL- 1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)- 2-PIPERIDINE CARBOXYLATE | A | 1FKH | 0.71 | |
R99 | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]- D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | A | 1EWL | 0.72 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.7 | |
357 | 5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]- 6-METHYL-4-(3-METHYLBENZYL)PYRIDIN- 2(1H)-ONE | A | 2BAN | 0.75 | |
ESY | benzyl N-[(benzyloxy)carbonyl]- L-alanyl-N~6~-[(2R,3S,4S)-3-formyl- 2-hydroxy-4-methylhexanoyl]-L-lysinate | K,Y | 3E47 | 0.72 | |
77B | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DCC | 0.71 | |
186 | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.73 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.71 | |
ENB | ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT- BUTOXYCARBONYL)-L-VALYL]AMINO}- 2-PHENYLETHANOYL)AMINO]-5-[(3S)- 2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | A,B | 2D2D | 0.74 | |
D7G | ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)- 2,3-DIOXOPROPYL)AMINO)CARBONYL)- 3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY- 3-OXAPENTYL ESTER | A | 2G8J | 0.71 | |
ALD | CARBOBENZYLOXYLEUCINYL-LEUCINYL- LEUCINAL | A | 1BP4 | 0.74 | |
Y15 | N-[(1S)-2-{[(1R)-2-(benzyloxy)- 1-cyano-1-methylethyl]amino}-1- (cyclohexylmethyl)-2-oxoethyl]morpholine- 4-carboxamide | A,B | 2R9O | 0.7 | |
SDK | 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]- L-LEUCYL]AMINO]-2-PROPANONE | A | 1AU0 | 0.73 | |
NBL | N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)- 1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE | A | 1YK7 | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBY | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4Y | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBR | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4W | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H48 | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H54 | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H51 | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBZ | 0.7 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBQ | 0.7 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.7 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.7 | |
73V | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DC6 | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.71 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.71 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.71 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.71 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.71 | |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.7 | |
78A | N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE | A | 2DCD | 0.7 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.71 | |
SBD | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 3VSB | 0.72 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.71 | |
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 | |
RL2 | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]- L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | A | 1EWM | 0.72 | |
DPC | 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL- PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H- PYRAN-2-CARBOXYLIC ACID | A,B | 1A4Q | 0.75 | |
DPC | 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL- PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H- PYRAN-2-CARBOXYLIC ACID | A | 1BJI | 0.75 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.72 | |
TTX | TENTOXIN | B | 1KMH | 0.77 | |
SBA | CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE | A | 1BQI | 0.7 | |
SBL | L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 1AV7 | 0.72 | |
K2Z | benzyl [(1S)-1-{[(1S,2S)-1-ethyl- 2-hydroxy-3-{[3-(4-methylpiperazin- 1-yl)propyl]amino}-3-oxopropyl]carbamoyl}- 3-methylbutyl]carbamate | A | 2R9F | 0.72 | |
BLN | MORPHOLINE-4-CARBOXYLIC ACID [1S- (2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)- 3-METHYL-BUTYL]AMIDE | A | 1MS6 | 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 | 0.75 | |
PFX | (2S)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)- 1-oxo-3-(4-phosphonophenyl)propan- 2-aminium | A | 2K9E | 0.72 | |
MP2 | N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE | A,B | 2FU9 | 0.7 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.7 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 3TLH | 0.74 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 1B11 | 0.74 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 6FIV | 0.74 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 5FIV | 0.74 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 2HAH | 0.74 | |
ZAH | N-[(BENZYLOXY)CARBONYL]-L-ALANYL- L-PROLINE | A,B | 2BKL | 0.71 | |
GAN | 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)- 2,3,6,7-TETRAHYDRO-1H-AZEPIN-1- YL]-1-OXOPROPYL-VALINYL-VALINE- METHYLESTER | A | 1HBV | 0.75 | |
ZRA | BENZOYL-ARGININE-ALANINE-METHYL KETONE | A | 2AIM | 0.71 | |
PCM | 1-[N[(PHENYLMETHOXY)CARBONYL]-L- LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]- /NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N | A | 1AU3 | 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 |