Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03846801
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 |
RS3 | 1-deoxy-1-[8-(dimethylamino)-7- methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin- 10(2H)-yl]-D-ribitol | X,Y | 3F4H | 0.72 | |
376 | N-[(naphthalen-1-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUU | 0.82 | |
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 | |
OTG | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.73 | |
HBZ | N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN7 | 0.74 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A | 2VCB | 0.78 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A | 2VVS | 0.78 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A,B | 3CQM | 0.78 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A | 2OXN | 0.78 | |
OAN | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO- N-PHENYLCARBAMATE | A,B | 2CBJ | 0.78 | |
445 | N-[oxo(phenylamino)acetyl]-beta- D-glucopyranosylamine | A | 3CUW | 0.83 | |
BO1 | N-[4-(AMINOSULFONYL)PHENYL]-BETA- D-GLUCOPYRANOSYLAMINE | A | 2HL4 | 0.74 | |
MU0 | (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY- 4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN- 1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]- 2-OXO-3-PHENYL-1,3-OXAZOLIDINE- 5-CARBOXAMIDE | A,B | 2Q55 | 0.7 | |
MNI | N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}- 4-(DIMETHYLAMINO)BENZAMIDE | A,B | 2OYM | 0.78 | |
NBX | N-{[(4-aminophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN9 | 0.89 | |
DL8 | N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1- YL)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE | A | 2PYI | 0.7 | |
SLD | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]- 2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent- 4-en-1-yl]-3-(4-methyl-2,6-dioxo- 1,6-dihydropyrimidin-5(2H)-ylidene)propanamide | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 3CXC | 0.73 | |
BND | ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC | A | 1OD9 | 0.7 | |
BA4 | [[(3R,4R,5S,6R)-3-(butanoylamino)- 4,5-dihydroxy-6-(hydroxymethyl)oxan- 2-ylidene]amino] N-phenylcarbamate | A | 3GS6 | 0.77 | |
F55 | N-{[(4-chlorophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN3 | 0.78 | |
F59 | N-[(biphenyl-4-ylcarbonyl)carbamoyl]- beta-D-glucopyranosylamine | A | 2QLN | 0.8 | |
BFN | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.71 | |
179 | N-[(naphthalen-2-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUT | 0.83 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.71 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.71 | |
IRF | 1-DEOXY-1-(8-IODO-7-METHYL-2,4- DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN- 10(2H)-YL)-D-RIBITOL | A | 2J08 | 0.72 | |
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 | 0.74 | |
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 | 0.74 | |
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 | 0.74 | |
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 | 0.74 | |
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 | 0.74 | |
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 | 0.74 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.72 | |
VG7 | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.7 | |
BOE | A,B | 1YBC | 0.71 | ||
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.71 | |
NBY | N-{[(4-nitrophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN8 | 0.84 | |
BZD | A | 1K06 | 0.83 | ||
BZD | A | 1K08 | 0.83 | ||
BZD | A | 2QNB | 0.83 | ||
F68 | N-{[(4-methylphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QLM | 0.83 | |
VPU | [[(3R,4R,5S,6R)-4,5-dihydroxy-6- (hydroxymethyl)-3-(pentanoylamino)oxan- 2-ylidene]amino] N-phenylcarbamate | A | 3GSM | 0.77 |