Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02254333
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 |
UC4 | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | A | 1RT7 | 0.7 |  |
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.73 | |
712 | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA- METHYL-D-PHENYLALANINATE | A | 2PH6 | 0.73 | |
IBA | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.74 | |
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.74 | |
323 | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.7 | |
AAF | METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | B | 2G63 | 0.78 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.7 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.76 | |
COC | COCAINE | A,C | 1I7Z | 0.71 | |
| COC | COCAINE | H | 1Q72 | 0.71 | |
| COC | COCAINE | L | 2AJV | 0.71 | |
| COC | COCAINE | A,B,C,D,E | 2PGZ | 0.71 | |
UC3 | 1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE | A | 1RT6 | 0.74 | |
XIN | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.72 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.71 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.77 | |
IPC | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.72 | |
RA2 | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9V | 0.74 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.74 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.75 | |
FEX | A | 1OSH | 0.72 | | |
I03 | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3- ({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | A | 2IS0 | 0.72 | |
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 4LBD | 0.72 | |
| 961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXX | 0.72 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.74 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.73 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.7 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.8 | |
| TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.8 | |
| TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.8 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.75 | |
RHQ | RHODAMINE 6G | A,B,D,E | 1JUS | 0.7 | |
| RHQ | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.7 | |
| RHQ | RHODAMINE 6G | A,D,E | 3BR6 | 0.7 | |
| RHQ | RHODAMINE 6G | A,B | 3D6Z | 0.7 | |
| RHQ | RHODAMINE 6G | A | 1OY8 | 0.7 | |
| RHQ | RHODAMINE 6G | A | 1T9V | 0.7 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.85 | |
| XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.85 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.74 | |
| PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.74 | |
| PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.74 | |
| PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.74 | |
| PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.74 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.73 | |
| FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.73 | |
| FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.73 | |
NN3 | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.72 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.75 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.75 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.75 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.75 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.71 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.71 | |
| ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.71 | |
2T1 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.7 | |
TNS | A,B,L | 2G2R | 0.73 | | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.79 | |
LZQ | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.74 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.73 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.73 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.73 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.73 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.73 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.71 | |
394 | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXA | 0.72 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.73 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.77 | |