Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03448311
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 |
COT![]() | COA-S-ACETYL TRYPTAMINE | A | 1KUY | 0.74 | ![]() |
COT![]() | COA-S-ACETYL TRYPTAMINE | E,F,G,H | 1IB1 | 0.74 | ![]() |
COT![]() | COA-S-ACETYL TRYPTAMINE | A | 1CJW | 0.74 | ![]() |
COT![]() | COA-S-ACETYL TRYPTAMINE | A | 1L0C | 0.74 | ![]() |
CND![]() | 5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE | A,B | 1ADB | 0.7 | ![]() |
GVJ![]() | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVZ | 0.7 | ![]() |
FR9![]() | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.7 | ![]() |
FM1![]() | 2-HYDROXYMETHYL-5-(7-METHYLAMINO- 3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)- TETRAHYDRO-FURAN-3,4-DIOL | A,B,C,D,E,F | 1K9S | 0.71 | ![]() |
IMU![]() | PHOSPHORIC ACID MONO-[5-(2-AMINO- 4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY- PYRROLIDIN-2-YLMETHYL] ESTER | A,B,C,D | 1BZY | 0.72 | ![]() |
IMU![]() | PHOSPHORIC ACID MONO-[5-(2-AMINO- 4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY- PYRROLIDIN-2-YLMETHYL] ESTER | A,B | 1DQN | 0.72 | ![]() |
PGI![]() | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-(2-PHENYLETHYL)-1,5,6,7,8,8A- HEXAHYDROIMIDAZO[1,2-A]PYRIDINE- 6,7,8-TRIOL | A,B | 2CET | 0.72 | ![]() |
PGI![]() | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-(2-PHENYLETHYL)-1,5,6,7,8,8A- HEXAHYDROIMIDAZO[1,2-A]PYRIDINE- 6,7,8-TRIOL | A,B | 2CER | 0.72 | ![]() |
TYM![]() | TRYPTOPHANYL-5'AMP | A,B | 2QUJ | 0.74 | ![]() |
TYM![]() | TRYPTOPHANYL-5'AMP | A | 1I6K | 0.74 | ![]() |
TYM![]() | TRYPTOPHANYL-5'AMP | A,B | 1R6U | 0.74 | ![]() |
TYM![]() | TRYPTOPHANYL-5'AMP | A | 1I6M | 0.74 | ![]() |
TYM![]() | TRYPTOPHANYL-5'AMP | A,B | 1R6T | 0.74 | ![]() |
TYM![]() | TRYPTOPHANYL-5'AMP | A | 1I6L | 0.74 | ![]() |
TAP![]() | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A | 1DR2 | 0.72 | ![]() |
TAP![]() | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A | 1DR3 | 0.72 | ![]() |
TAP![]() | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A,B | 1PT9 | 0.72 | ![]() |
DAK![]() | 4-(N,N-DIMETHYLAMINO)CINNAMOYL- COA | A,B,C,D,E,F | 1EY3 | 0.71 | ![]() |
TYA![]() | A | 3TS1 | 0.72 | ![]() | |
MTI![]() | 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]- 5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)PYRROLIDINIUM | A,B,C,D,E,F | 1Q1G | 0.79 | ![]() |
4F3![]() | [2-(1-AMINO-2-HYDROXY-PROPYL)-4- (4-FLUORO-1H-INDOL-3-YLMETHYL)- 5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID | A | 1RM9 | 0.74 | ![]() |
DBI![]() | PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL- BENZOIMIDAZOL-1-YL)-4-HYDROXY-2- HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-YL] ESTER | A | 1ID8 | 0.7 | ![]() |
DF9![]() | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.86 | ![]() |
3AA![]() | 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE | A,B,E,F | 1F6M | 0.7 | ![]() |
CCK![]() | [1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid | X | 3E3B | 0.71 | ![]() |
DF2![]() | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7- DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN- 4-YLIDENE]AMINO}PROPANE-1,2-DIOL | A | 2BRO | 0.76 | ![]() |
IMG![]() | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9- DEAZAGUANIN-9-YL)-D-RIBITOL | A,B | 1DQP | 0.74 | ![]() |
IMG![]() | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9- DEAZAGUANIN-9-YL)-D-RIBITOL | A | 1B8N | 0.74 | ![]() |
MTM![]() | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE- 3,4-DIOL | A,B,C,D,E,F | 1ZOS | 0.88 | ![]() |
MTM![]() | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE- 3,4-DIOL | A,B | 1Y6R | 0.88 | ![]() |
MTM![]() | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE- 3,4-DIOL | A | 1K27 | 0.88 | ![]() |
UA2![]() | 3,4-PYRROLIDINEDIOL,2-(4-AMINO- 5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)- 5-(HYDROXYMETHYL)-2S,3S,4R,5R | A,B,C | 2I4T | 0.94 | ![]() |
IDD![]() | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1X38 | 0.74 | ![]() |
IDD![]() | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1LQ2 | 0.74 | ![]() |
1BM![]() | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.71 | ![]() |
ALH![]() | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.75 | ![]() |
121![]() | 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I,L | 1GHY | 0.7 | ![]() |
BIG![]() | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin- 3-ol | A,C | 3DP9 | 0.87 | ![]() |
ABR![]() | (R)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5E | 0.75 | ![]() |
FM2![]() | 2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3- D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL- TETRAHYDRO-FURAN-3,4-DIOL | A,B,C,D,E,F | 1K9S | 0.7 | ![]() |
XAE![]() | 3-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5- G]QUINAZOLIN-8-AMINE | A,B | 2ICZ | 0.71 | ![]() |
ZZB![]() | A | 2WFG | 0.71 | ![]() | |
RMC![]() | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.75 | ![]() |
OLO![]() | OLOMOUCINE | A | 4ERK | 0.74 | ![]() |
OLO![]() | OLOMOUCINE | C | 1W0X | 0.74 | ![]() |
IDE![]() | (5R,6R,7S,8S)-3-(ANILINOMETHYL)- 5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)- IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | A | 1X39 | 0.72 | ![]() |
IDE![]() | (5R,6R,7S,8S)-3-(ANILINOMETHYL)- 5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)- IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | A,B | 2J7C | 0.72 | ![]() |
NBS![]() | A | 1KSW | 0.74 | ![]() | |
GSZ![]() | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY- 5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE | A,B | 2J62 | 0.73 | ![]() |
IMK![]() | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL- 1-BENZIMIDAZOLE | A | 1XKX | 0.72 | ![]() |
DFZ![]() | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | A | 2BRM | 0.73 | ![]() |
RBZ![]() | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1D0V | 0.7 | ![]() |
RBZ![]() | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1L4E | 0.7 | ![]() |
SFC![]() | (S)-IBUPROFENOYL-COENZYME A | A,B,C,D | 2GCE | 0.71 | ![]() |
RFC![]() | (R)-IBUPROFENOYL-COENZYME A | A,B,C,D | 2GCE | 0.71 | ![]() |
K51![]() | 4-(6-{[(1S)-1-(HYDROXYMETHYL)-2- METHYLPROPYL]AMINO}IMIDAZO[1,2- B]PYRIDAZIN-3-YL)BENZONITRILE | X | 2PMN | 0.71 | ![]() |
CK9![]() | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}- 9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL | X | 2A0C | 0.74 | ![]() |
TDI![]() | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN- 3-OL | A,B | 1Y6Q | 0.88 | ![]() |
VGB![]() | (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)- 2-(2-phenylethyl)-8-(propanoylamino)- 5,6,7,8-tetrahydro-1H-imidazo[1,2- a]pyridin-4-ium | A,B | 2WB5 | 0.73 | ![]() |
FYA![]() | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE] | A,B | 2IY5 | 0.76 | ![]() |
FYA![]() | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE] | A | 1B7Y | 0.76 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 2OC9 | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 1B8O | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B,C | 1G2O | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B,C,D,E,F | 1NW4 | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 1RT9 | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B | 2FF1 | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B | 2FF2 | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 2OC4 | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | E | 2Q7O | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 1RR6 | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B | 3B9G | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | E | 1PF7 | 0.85 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 2ON6 | 0.85 | ![]() |
GDV![]() | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7- DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDINE-2-CARBOXAMIDE | A | 2J47 | 0.71 | ![]() |
WSA![]() | 5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE | A,B,C,D | 2YY5 | 0.75 | ![]() |
CA3![]() | COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE | A | 1KUX | 0.74 | ![]() |
FA5![]() | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE] | A | 3CMQ | 0.72 | ![]() |
FA5![]() | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE] | A,B | 1JJC | 0.72 | ![]() |
JMQ![]() | (2R,3R,4S)-2-(hydroxymethyl)-1- [(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin- 7-yl)methyl]pyrrolidine-3,4-diol | A,B | 3EPW | 0.8 | ![]() |
NDA![]() | 3-AMINOMETHYL-PYRIDINIUM-ADENINE- DINUCLEOTIDE | A,B,C,D | 1EBU | 0.73 | ![]() |
ABS![]() | (S)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5F | 0.75 | ![]() |
STS![]() | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.75 | ![]() |
1DA![]() | 1-DEAZA-ADENOSINE | A | 1ADD | 0.74 | ![]() |
CA5![]() | COA-S-ACETYL 5-BROMOTRYPTAMINE | A | 1KUV | 0.71 | ![]() |
GVI![]() | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.71 | ![]() |
SND![]() | THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B,C,D | 1IHX | 0.72 | ![]() |
SND![]() | THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B,C | 1PTJ | 0.72 | ![]() |
223![]() | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN- 3-OL | A,B,C,D,E,F | 2ISC | 0.85 | ![]() |
NHV![]() | (5R,6R,7S,8R)-6,7,8-trihydroxy- 5-(hydroxymethyl)-2-[(phenylamino)methyl]- 5,6,7,8-tetrahydro-1H-imidazo[1,2- a]pyridin-4-ium | A,B | 2VOT | 0.73 | ![]() |
RC8![]() | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.77 | ![]() |
3GO![]() | 4-[[(2R,3S,4R,5R)-5-[6-amino-8- (quinolin-6-ylmethylamino)purin- 9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile | A | 3FZM | 0.72 | ![]() |
G37![]() | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL- 2-YLMETHYLCARBAMOYL)-1-BENZYL-2- HYDROXYPROPYL]-AMIDE | A | 1HTG | 0.72 | ![]() |
RRC![]() | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.75 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 1YGK | 0.75 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 1UNL | 0.75 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 2A4L | 0.75 | ![]() |
3BK![]() | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4- dichlorophenyl)methylamino]purin- 9-yl]-5-(hydroxymethyl)oxolane- 3,4-diol | A | 3FZK | 0.71 | ![]() |
IRP![]() | (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4- DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE | A,B,C,D | 1CJB | 0.71 | ![]() |
IZZ![]() | (2S)-2-{[3-(3-aminophenyl)imidazo[1,2- b]pyridazin-6-yl]amino}-3-methylbutan- 1-ol | A | 3F2N | 0.73 | ![]() |
DF1![]() | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.74 | ![]() |
AD3![]() | 3-DEAZA-ADENOSINE | A,B | 1KIE | 0.74 | ![]() |
AD3![]() | 3-DEAZA-ADENOSINE | A,B,C,D | 2ZIZ | 0.74 | ![]() |
AD3![]() | 3-DEAZA-ADENOSINE | A,B | 1R4F | 0.74 | ![]() |
AD3![]() | 3-DEAZA-ADENOSINE | A,B | 1HP0 | 0.74 | ![]() |