Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02350902
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 |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.7 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.74 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.82 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZS | 0.79 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZL | 0.79 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.72 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.72 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.74 | |
ANF | ANTHRONE | H | 2BJM | 0.75 | |
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 | 0.72 | |
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 | 0.72 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.71 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.74 | |
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 | 0.71 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.71 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.73 | |
OX1 | H,Y | 1LO2 | 0.71 | ||
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.8 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.8 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.71 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.71 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.7 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.81 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.72 | |
ENM | (5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | A | 2PNU | 0.71 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.79 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.72 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.81 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.81 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.81 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.76 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.81 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.81 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.81 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.81 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.81 | |
BS1 | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.7 | |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.8 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.83 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.7 |