Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01088914
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 |
BDU | ME-A-9-N-(BIPHENYL-4-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1ODA | 0.76 |  |
NBX | N-{[(4-aminophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN9 | 0.78 | |
OTG | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.75 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.71 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.71 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.71 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.71 | |
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.75 | |
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 | 0.73 | |
| 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 | 0.73 | |
J15 | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- ALPHA-BENZAMIDE | D,E,F,G,H | 1PZJ | 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 | |
PCY | PACTAMYCIN | A,D,H,N | 1HNX | 0.71 | |
ANY | 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO- 2-HYDROXY-BENZOYLAMINO)-8-HEPTYL- 2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN- 7-YL ESTER | A,C,D,E,N,P, Q,R | 3H1I | 0.71 | |
| ANY | 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO- 2-HYDROXY-BENZOYLAMINO)-8-HEPTYL- 2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN- 7-YL ESTER | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.71 | |
RAI | 1-(4-CARBOXY-2-GUANIDINOPENTYL)- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9T | 0.7 | |
A32 | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H,L, M,O,P,V,W,X, Y,Z | 1JQY | 0.73 | |
BND | ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC | A | 1OD9 | 0.77 | |
AMY | ANTIMYCIN | C,D,E | 3BCC | 0.71 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | P | 1JCM | 0.81 | |
| 137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBM | 0.81 | |
| 137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBL | 0.81 | |
| 137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBF | 0.81 | |
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.72 | |
BFN | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.74 | |
15B | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- BETA-BENZAMIDE | D,E,F,G,H | 1PZJ | 0.71 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.7 | |
SUW | ME-A-9-N-(NAPHTHYL-2-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1OD7 | 0.73 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.74 | |
ANJ | (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)- 2-HYDROXYBENZOYL]AMINO}-8-HEXYL- 2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN- 7-YL (2S)-2-METHYLBUTANOATE | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.71 | |
| ANJ | (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)- 2-HYDROXYBENZOYL]AMINO}-8-HEXYL- 2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN- 7-YL (2S)-2-METHYLBUTANOATE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.71 | |
MNI | N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}- 4-(DIMETHYLAMINO)BENZAMIDE | A,B | 2OYM | 0.75 | |
AY1 | ANTIMYCIN A1 | C,D,E | 1NTK | 0.72 | |
A24 | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H | 1JR0 | 0.73 | |
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 | 0.73 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.73 | |
SHP | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.7 | |
BZD | A | 1K06 | 0.71 | | |
| BZD | A | 1K08 | 0.71 | | |
| BZD | A | 2QNB | 0.71 | | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.72 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.73 | |
| XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.73 | |
AA6 | 3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)- PHENYL]-2-METHYLAMINO-PROPIONIC ACID | E,I | 1QR3 | 0.7 | |
RA2 | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9V | 0.76 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.74 | |
PH5 | 2-PHENYL-PROP5AC | A,B | 2BVE | 0.74 | |
EJT | 1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)- CARBOMYL 5-METHYAZIDO-BENZENE | A,B | 1QGL | 0.74 | |
NBY | N-{[(4-nitrophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN8 | 0.75 | |
1DM | N-(2-MORPHOLIN-4-YL-1-MORPHOLIN- 4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5- TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-2-YLOXY)-BENZAMIDE | D,E,F,G,H | 1PZI | 0.7 | |
ICU | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.71 | |
IBA | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.76 | |
HBZ | N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN7 | 0.71 | |
179 | N-[(naphthalen-2-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUT | 0.71 | |
376 | N-[(naphthalen-1-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUU | 0.7 | |