Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00083578
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 |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.72 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | ![]() |
BYS![]() | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.89 | ![]() |
IKR![]() | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.72 | ![]() |
CTF![]() | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.76 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.8 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.8 | ![]() |
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 | 0.8 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.73 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.73 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.71 | ![]() |
OEF![]() | 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID | A | 2J4A | 0.71 | ![]() |
RWF![]() | R-WARFARIN | A,B | 2BXD | 0.7 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.76 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.76 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.76 | ![]() |
G24![]() | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.72 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.71 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.7 | ![]() |
HXP![]() | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.71 | ![]() |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.7 | ![]() |
MGI![]() | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.71 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.7 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.71 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.71 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.71 | ![]() |
SWF![]() | S-WARFARIN | A,B | 1OG5 | 0.7 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.7 | ![]() |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.75 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.7 | ![]() |
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 | 0.73 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.72 | ![]() |
HZ3![]() | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.7 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.79 | ![]() |
PFI![]() | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | ![]() |
PO1![]() | (9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE | A | 2GD8 | 0.72 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.72 | ![]() |
JT6![]() | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.71 | ![]() |
P1S![]() | (6AR,12AR)-3-(HYDROXYMETHYL)-6H- [1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMEN-6A(12AH)-OL | A | 1ZGJ | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.88 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.88 | ![]() |
HMK![]() | (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMENE-3,6A(12AH)-DIOL | A | 1ZGA | 0.71 | ![]() |
E3G![]() | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.71 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.71 | ![]() |
3A3![]() | A | 2CGU | 0.72 | ![]() | |
BDS![]() | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.87 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.71 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.71 | ![]() |
GGO![]() | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 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 | 0.7 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.85 | ![]() |
167![]() | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5- (3-METHOXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ6 | 0.72 | ![]() |