Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02198292
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 |
C47 | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.71 | |
RBF | RIBOFLAVINE | B,D,F,H | 2FL5 | 0.72 | |
RBF | RIBOFLAVINE | A | 2CC8 | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1PKV | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1T6Z | 0.72 | |
RBF | RIBOFLAVINE | A | 2VX9 | 0.72 | |
RBF | RIBOFLAVINE | A,B,C,D,E | 1KYV | 0.72 | |
RBF | RIBOFLAVINE | A | 1MOG | 0.72 | |
RBF | RIBOFLAVINE | A,B,C,D,E,F, G,H,I,J,K,L | 2VXA | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1L5R | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1HZE | 0.72 | |
RBF | RIBOFLAVINE | A,B,C,D,E | 2A58 | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1BU5 | 0.72 | |
RBF | RIBOFLAVINE | X,Y | 3F4G | 0.72 | |
RBF | RIBOFLAVINE | A | 1NB9 | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1I18 | 0.72 | |
RBF | RIBOFLAVINE | A | 3DDY | 0.72 | |
RBF | RIBOFLAVINE | A | 2CCB | 0.72 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A | 2VCB | 0.7 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A | 2VVS | 0.7 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A,B | 3CQM | 0.7 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A | 2OXN | 0.7 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A,B | 2CBJ | 0.7 | |
2T3 | (2R,3R)-4-ANILINO-2,3-DIHYDROXY- 4-OXOBUTANOIC ACID | A | 2P36 | 0.81 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.71 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.73 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.75 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.73 | |
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.72 | |
GB7 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)- 1-methylpyrrolidin-2-one | A | 3DDG | 0.72 | |
FG1 | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)- PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}- ETHYL)-PHENYL]-OXALAMIC ACID | A | 1NWE | 0.72 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.77 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.77 | |
NBX | N-{[(4-aminophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN9 | 0.71 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.71 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.76 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.76 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.76 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.76 | |
MNI | N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}- 4-(DIMETHYLAMINO)BENZAMIDE | A,B | 2OYM | 0.76 | |
376 | N-[(naphthalen-1-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUU | 0.75 | |
BA4 | [[(3R,4R,5S,6R)-3-(butanoylamino)- 4,5-dihydroxy-6-(hydroxymethyl)oxan- 2-ylidene]amino] N-phenylcarbamate | A | 3GS6 | 0.71 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D,E,F, G,H | 2ISL | 0.7 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRY | 0.7 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRV | 0.7 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D,E,F, G,H | 2ISK | 0.7 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRZ | 0.7 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A | 2FZ5 | 0.7 | |
GB6 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin- 2-one | A | 3DDF | 0.72 | |
445 | N-[oxo(phenylamino)acetyl]-beta- D-glucopyranosylamine | A | 3CUW | 0.72 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 | |
179 | N-[(naphthalen-2-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUT | 0.76 | |
VPU | [[(3R,4R,5S,6R)-4,5-dihydroxy-6- (hydroxymethyl)-3-(pentanoylamino)oxan- 2-ylidene]amino] N-phenylcarbamate | A | 3GSM | 0.72 |