Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00218258
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 |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.74 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.84 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.84 | ![]() |
BYS![]() | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.85 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.7 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.7 | ![]() |
E3G![]() | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.74 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.72 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.74 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.74 | ![]() |
P1S![]() | (6AR,12AR)-3-(HYDROXYMETHYL)-6H- [1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMEN-6A(12AH)-OL | A | 1ZGJ | 0.73 | ![]() |
HMK![]() | (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMENE-3,6A(12AH)-DIOL | A | 1ZGA | 0.73 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.73 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.82 | ![]() |
IKR![]() | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.74 | ![]() |
POD![]() | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.81 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.71 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.73 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.73 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | ![]() |
BDS![]() | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.83 | ![]() |
MGI![]() | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.74 | ![]() |
CTF![]() | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.72 | ![]() |
CA2![]() | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.73 | ![]() |
697![]() | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE | A,B | 1X76 | 0.72 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.73 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.73 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.73 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.73 | ![]() |
AFN![]() | 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | A | 1N1N | 0.71 | ![]() |
8MO![]() | METHOXSALEN | A,B,C,D | 1Z11 | 0.73 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.71 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.71 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.77 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.77 | ![]() |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.72 | ![]() |
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 | ![]() |
ODE![]() | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.7 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.76 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1ME7 | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEI | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEH | 0.71 | ![]() |
BRZ![]() | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.71 | ![]() |