Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01902389
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 |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.72 |  |
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 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.71 | |
| V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.71 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.73 | |
A18 | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.79 | |
C17 | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.73 | |
FC2 | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.77 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.7 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.71 | |
FCD | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.78 | |
MOF | MOMETASONE FUROATE | A,B | 1SR7 | 0.71 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.71 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.72 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.72 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.71 | |
VXX | VANILLATE | A,B | 1WB6 | 0.73 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.72 | |
397 | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.77 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.72 | |
| JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.72 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.72 | |
R17 | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.7 | |
FDS | FLUORESCIN | H | 4FAB | 0.7 | |
244 | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.74 | |
| 244 | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.74 | |
SIG | STIGMATELLIN | C,D,E | 2BCC | 0.73 | |
| SIG | STIGMATELLIN | C,D,E | 3BCC | 0.73 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.7 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.73 | |
| IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.73 | |
SMA | STIGMATELLIN A | A,C,D,E,N,P, Q,R | 3H1I | 0.72 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.72 | |
| SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CXH | 0.72 | |
| SMA | STIGMATELLIN A | C,D,E,P,Q,R | 1ZRT | 0.72 | |
| SMA | STIGMATELLIN A | C,H,L,M | 2JBL | 0.72 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W | 2A06 | 0.72 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.72 | |
| SMA | STIGMATELLIN A | A,C,D,E | 1KB9 | 0.72 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.72 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,N,O,P,Q,R, S,T | 1PP9 | 0.72 | |
| SMA | STIGMATELLIN A | C,D,E | 2IBZ | 0.72 | |
| SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CX5 | 0.72 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2FYN | 0.72 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJY | 0.72 | |
| SMA | STIGMATELLIN A | C,D,E | 1EZV | 0.72 | |
| SMA | STIGMATELLIN A | C,D,E,N,O,P,W | 1KYO | 0.72 | |
| SMA | STIGMATELLIN A | A,C,D,E,G,N, P,Q,R,S | 3H1J | 0.72 | |
| SMA | STIGMATELLIN A | C,D,E | 1SQX | 0.72 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.75 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.7 | |
ERD | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.7 | |
BYS | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.71 | |
697 | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE | A,B | 1X76 | 0.73 | |
8MO | METHOXSALEN | A,B,C,D | 1Z11 | 0.75 | |
EAA | ETHACRYNIC ACID | A,B | 3DGQ | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B | 11GS | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B | 2GSS | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B | 3GSS | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B | 1GSE | 0.7 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.71 | |
| VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.71 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,L,R | 1Q90 | 0.7 | |
| TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,G | 2E76 | 0.7 | |
| TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,E,N, O,P,Q,R | 1VF5 | 0.7 | |
BZF | BENZOFURAN | A | 182L | 0.73 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.71 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.71 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.71 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.71 | |
| ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.71 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.71 | |
FC3 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.71 | |
MAX | MATAIRESINOL | A | 2BGM | 0.73 | |
CIO | CILOMILAST | A,B | 1XOM | 0.71 | |
| CIO | CILOMILAST | A,B | 1XLX | 0.71 | |