Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458134
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 |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.73 | |
MAZ | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.71 | |
GWB | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO- 3-ISOPROPYLQUINOLIN-2(1H)-ONE | A | 1TKX | 0.85 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.75 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.71 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.72 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.72 | |
MXX | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.71 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.74 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.74 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.74 | |
UC4 | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | A | 1RT7 | 0.72 | |
LI6 | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.78 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.71 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,C,D,I,J, K,L | 3EWF | 0.73 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,I,L | 2V5W | 0.73 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | B | 1VDN | 0.73 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | C | 1VAI | 0.73 | |
MDC | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.71 | |
RXB | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.7 | |
U02 | [2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY- 2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL- METHYL}-PHENYLCARBAMOYL)-ETHYL]- CARBAMIC ACID TERT-BUTYL ESTER | A | 2UPJ | 0.7 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.73 | |
3FT | A | 2BXV | 0.71 | ||
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.73 | |
N4E | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 0.7 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.7 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.7 | |
H20 | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN- 2(1H)-ONE | A | 1TL3 | 0.82 | |
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.73 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.72 | |
ILH | A | 2FQI | 0.7 | ||
SH4 | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE | H | 1UM4 | 0.7 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.78 | |
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.78 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.71 | |
H12 | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN- 2(1H)-ONE | A | 1TKT | 0.82 |