Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02874552
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 |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.73 | |
R02 | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.72 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.76 | |
5TN | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.73 | |
R17 | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.71 | |
FDS | FLUORESCIN | H | 4FAB | 0.76 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.75 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.75 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.77 | |
OEF | 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID | A | 2J4A | 0.83 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.73 | |
G12 | 3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE | A | 2QC6 | 0.7 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.73 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.75 | |
PH7 | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]- 2-PROPENOIC ACID | A | 1YVF | 0.71 | |
AJA | (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)- 1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A- TETRAHYDRO-6H-BENZO[C]CHROMENE- 9-CARBOXYLIC ACID | A,B,C,D | 2OM9 | 0.72 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.75 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.75 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.75 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.84 | |
DBF | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.71 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.76 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.72 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.72 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.74 | |
COU | COUMARIN | A | 3CRB | 0.71 | |
COU | COUMARIN | A | 2PMJ | 0.71 | |
COU | COUMARIN | A | 2H90 | 0.71 | |
COU | COUMARIN | A,B,C,D | 1Z10 | 0.71 | |
COU | COUMARIN | A | 2PWB | 0.71 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | |
BZF | BENZOFURAN | A | 182L | 0.7 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.74 | |
B29 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | A,B | 2E98 | 0.71 | |
B29 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | A,B | 2E93 | 0.71 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.7 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.74 | |
MAX | MATAIRESINOL | A | 2BGM | 0.7 | |
IKR | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.71 | |
R88 | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.75 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.73 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.73 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.73 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.73 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.73 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.74 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.74 | |
ORE | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID | H,I | 2A9N | 0.7 | |
FL8 | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE | B,C | 1KGJ | 0.77 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.76 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.71 | |
HXP | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.72 |