Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03963126
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 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.72 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.73 | |
VXX | VANILLATE | A,B | 1WB6 | 0.77 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.74 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.74 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.74 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.74 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.74 | |
MAX | MATAIRESINOL | A | 2BGM | 0.76 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.72 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.72 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.7 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.7 | |
FRR | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.7 | |
T4A | C,D | 1KGI | 0.71 | ||
T4A | A,B | 1Z7J | 0.71 | ||
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.73 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.7 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.8 | |
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 | 0.7 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.76 | |
ERD | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.71 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.71 | |
REF | 2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione | A | 2ZJW | 0.7 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.77 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.71 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.77 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.77 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.76 | |
OX5 | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.7 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.72 | |
OX4 | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.73 | |
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 | 0.72 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.72 | |
SMA | STIGMATELLIN A | A,C,D,E,N,P, Q,R | 3H1I | 0.7 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.7 | |
SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CXH | 0.7 | |
SMA | STIGMATELLIN A | C,D,E,P,Q,R | 1ZRT | 0.7 | |
SMA | STIGMATELLIN A | C,H,L,M | 2JBL | 0.7 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W | 2A06 | 0.7 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.7 | |
SMA | STIGMATELLIN A | A,C,D,E | 1KB9 | 0.7 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.7 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,N,O,P,Q,R, S,T | 1PP9 | 0.7 | |
SMA | STIGMATELLIN A | C,D,E | 2IBZ | 0.7 | |
SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CX5 | 0.7 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2FYN | 0.7 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJY | 0.7 | |
SMA | STIGMATELLIN A | C,D,E | 1EZV | 0.7 | |
SMA | STIGMATELLIN A | C,D,E,N,O,P,W | 1KYO | 0.7 | |
SMA | STIGMATELLIN A | A,C,D,E,G,N, P,Q,R,S | 3H1J | 0.7 | |
SMA | STIGMATELLIN A | C,D,E | 1SQX | 0.7 | |
IKR | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.79 | |
3A3 | A | 2CGU | 0.75 | ||
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.71 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.74 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.74 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.75 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.72 | |
FDS | FLUORESCIN | H | 4FAB | 0.72 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.73 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.72 | |
RNP | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.71 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.71 | |
NRO | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.71 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.7 | |
8CM | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.74 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.72 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.74 | |
BYS | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.71 | |
FSE | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.77 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.74 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.75 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.75 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.71 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.74 | |
DBF | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.7 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.71 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.71 | |
OX3 | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.74 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.72 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.72 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.7 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.71 | |
CIO | CILOMILAST | A,B | 1XOM | 0.76 | |
CIO | CILOMILAST | A,B | 1XLX | 0.76 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIT | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ1 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIU | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PKL | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 3D57 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ2 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2QPY | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ0 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NUO | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 2PIN | 0.72 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.71 |