Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178472
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 |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.78 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.7 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.73 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 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 | 1MVC | 0.73 | |
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 | 0.73 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A | 1BW7 | 0.75 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,T | 2VA3 | 0.75 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,F | 2V9W | 0.75 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,E,F | 2VA2 | 0.75 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | 1,2 | 1EEK | 0.75 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B | 2G92 | 0.74 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B,C,D | 2Q1O | 0.74 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.72 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.72 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.72 | |
FFD | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.75 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.72 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.77 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.77 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.74 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.74 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.72 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.72 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.7 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.7 | |
689 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.71 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.71 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.71 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.72 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.72 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.72 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.71 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.71 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.74 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.7 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.72 | |
L79 | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.72 | |
459 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.71 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.71 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.76 | |
S1A | SORAPHEN A | A,B | 3GID | 0.79 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.79 |