Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458175
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 |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.73 |  |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.74 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.74 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.72 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.72 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.72 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.71 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.71 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.71 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.71 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.71 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.71 | |
DZ3 | N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide | A,B | 3ESP | 0.71 | |
452 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | A,B | 2QE2 | 0.73 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.7 | |
NN2 | 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO- 2H-1,2,4-BENZOTHIADIAZIN-3-YL)- 6-FLUORO-4-HYDROXYQUINOLIN-2(1H)- ONE | A,B | 2GIQ | 0.71 | |
NU1 | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.72 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.76 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.8 | |
| FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.8 | |
| FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.8 | |
888 | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin- 3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin- 2(1H)-one | A,B | 2FVC | 0.72 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.73 | |
GWB | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO- 3-ISOPROPYLQUINOLIN-2(1H)-ONE | A | 1TKX | 0.86 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.76 | |
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.79 | |
LI6 | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.86 | |
LI7 | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.73 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.71 | |
| PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.71 | |
| PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.71 | |
| PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.71 | |
| PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.71 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.72 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.74 | |
| NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.74 | |
2T1 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.71 | |
ILH | A | 2FQI | 0.71 | | |
ILB | A | 2FPT | 0.72 | | |
135 | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.75 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.78 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.74 | |
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.72 | |
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.72 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.71 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.74 | |
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 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.72 | |
| A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.72 | |
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.73 | |
H20 | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN- 2(1H)-ONE | A | 1TL3 | 0.77 | |
SH4 | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE | H | 1UM4 | 0.73 | |
3FT | A | 2BXV | 0.74 | | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.72 | |
| GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.72 | |
| GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.72 | |
| GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.72 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.75 | |
LJ5 | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.74 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.73 | |
| XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.73 | |
H12 | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN- 2(1H)-ONE | A | 1TKT | 0.79 | |
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.77 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.72 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.72 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.72 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.74 | |
| BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.74 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.72 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.78 | |
DZ1 | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.73 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.77 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.75 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.75 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.75 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.75 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.75 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.81 | |
| TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.81 | |
| TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.81 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.77 | |
794 | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | A | 1NO6 | 0.7 | |
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 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.8 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.73 | |