Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03182420
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 |
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.73 | |
46C | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin- 2(1H)-yl)methyl]benzoic acid | A | 2ZDT | 0.84 | |
IFB | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.75 | |
679 | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID | A,B | 1Q4L | 0.73 | |
FNH | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL- 5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA- 1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)- 2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2A4Q | 0.7 | |
KLT | 2-chloro-5-[(1S)-1-hydroxy-3-oxo- 2H-isoindol-1-yl]benzenesulfonamide | A | 3F4X | 0.73 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.71 | |
FE3 | 4-(2-aminoethyl)-3-chlorobenzoic acid | A,B | 2K1Q | 0.81 | |
AG6 | N-[(benzyloxy)carbonyl]-L-alpha- glutamyl-N-[(1S)-4-oxo-4-phenyl- 1-propylbut-2-en-1-yl]-L-phenylalaninamide | A | 3FRZ | 0.71 | |
LAZ | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.74 | |
23U | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.72 | |
864 | (2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}- 2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PJ2 | 0.71 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.72 | |
RPR | A | 1F0U | 0.72 | ||
RPR | A | 1EZQ | 0.72 | ||
452 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | A,B | 2QE2 | 0.74 | |
23C | 2-[(1R)-1-carboxy-2-naphthalen- 1-ylethyl]-1,3-dioxo-2,3-dihydro- 1H-isoindole-5-carboxylic acid | A,B | 2R9W | 0.73 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.7 | |
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.72 | |
821 | A | 1O43 | 0.73 | ||
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.71 | |
P21 | 4-chloro-N-(3-methoxypropyl)-N- [(3S)-1-(2-phenylethyl)piperidin- 3-yl]benzamide | A | 2VD4 | 0.71 | |
TIN | A,B | 1N94 | 0.71 | ||
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.71 | |
AJH | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid | A,B | 3EIO | 0.77 | |
VBP | 4-({3-[(2R)-2-amino-2-carboxyethyl]- 2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)benzoic acid | B,E,G,H,J,L, N,P | 3H06 | 0.7 | |
2T1 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.71 | |
UN7 | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.72 | |
853 | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.79 | |
UBC | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4- DIONE | A,B | 2F35 | 0.71 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.78 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.79 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.71 | |
176 | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)- PYRROLIDINE-3-CARBOXYLIC ACID 2,5- DICHLORO-BENZYLAMIDE | A,B | 1TA2 | 0.71 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.7 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.81 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.81 | |
DIZ | (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)- 7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO- 4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID | A,B | 1T4E | 0.71 | |
852 | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | A | 1O44 | 0.76 | |
JPC | 3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVZ | 0.7 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.83 | |
3FL | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | A,B | 3FCL | 0.72 | |
KAF | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.77 | |
GR1 | 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL- PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID | B,I | 1QJ7 | 0.7 | |
903 | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-METHOXYCARBONYL-PHENYL}- 2-FLUORO-MALONIC ACID | A | 1O46 | 0.72 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.74 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.72 | |
PEM | 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]- 2-METHYLPROPIONIC ACID | A,B | 1IWH | 0.75 | |
055 | (2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen- 2-yl)carbonyl]amino}(phenyl)ethanoic acid | A,B | 3DDW | 0.71 | |
WH6 | 2-[(1R)-2-carboxy-1-(naphthalen- 1-ylmethyl)ethyl]-1,3-dioxo-2,3- dihydro-1H-isoindole-5-carboxylic acid | A,B | 2R9X | 0.75 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.79 | |
072 | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE | A,B,C,D | 4PRG | 0.75 | |
BJH | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.71 | |
201 | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.79 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1PI5 | 0.7 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A | 1NXY | 0.7 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1MXO | 0.7 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1YM1 | 0.7 | |
197 | 4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID | A | 1O4A | 0.78 | |
153 | (2S)-2-[(2,4-DICHLORO-BENZOYL)- (3-TRIFLUOROMETHYL-BENZYL)-AMINO]- 3-PHENYL-PROPIONIC ACID | A,B | 1NHU | 0.8 | |
IFA | A,B | 3FC8 | 0.73 |