Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00207117
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 |
DF1 | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.71 | |
NBS | A | 1KSW | 0.7 | ||
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.72 | |
POX | 4-amino-6-{[1-(3-fluorobenzyl)- 1H-indazol-5-yl]amino}pyrimidine- 5-carbaldehyde O-(2-methoxyethyl)oxime | A | 3BEL | 0.72 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | |
20A | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.72 | |
V12 | 5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]- 5'-DEOXYCYTIDINE | A,B | 2V2V | 0.71 | |
CQU | N-[2-(5-methyl-4H-1,2,4-triazol- 3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin- 4-amine | A | 3CQU | 0.71 | |
FR8 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(5-PHENYLPENTANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1QXL | 0.71 | |
COT | COA-S-ACETYL TRYPTAMINE | A | 1KUY | 0.75 | |
COT | COA-S-ACETYL TRYPTAMINE | E,F,G,H | 1IB1 | 0.75 | |
COT | COA-S-ACETYL TRYPTAMINE | A | 1CJW | 0.75 | |
COT | COA-S-ACETYL TRYPTAMINE | A | 1L0C | 0.75 | |
I24 | 2-butoxy-9-(2,6-difluorobenzyl)- N-(2-morpholin-4-ylethyl)-9H-purin- 6-amine | A,B | 2VVT | 0.73 | |
OLO | OLOMOUCINE | A | 4ERK | 0.72 | |
OLO | OLOMOUCINE | C | 1W0X | 0.72 | |
TDI | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN- 3-OL | A,B | 1Y6Q | 0.7 | |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.72 | |
AK3 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3- d]pyrimidin-7-yl)amino]ethyl}-1,3- thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | A | 3D2I | 0.73 | |
DF9 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.74 | |
L0C | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}- 1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL- 6-YL]METHYL}MORPHOLIN-4-IUM | A | 2W1C | 0.73 | |
G37 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL- 2-YLMETHYLCARBAMOYL)-1-BENZYL-2- HYDROXYPROPYL]-AMIDE | A | 1HTG | 0.71 | |
PD5 | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.72 | |
GD9 | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin- 1-yl]methyl}-4-morpholin-4-yl-thieno[3,2- d]pyrimidine | A | 3DBS | 0.72 | |
FR9 | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.73 | |
FR5 | 1-((1R)-1-(HYDROXYMETHYL)-3-(6- ((3-(1-METHYL-1H-BENZIMIDAZOL-2- YL)PROPANOYL)AMINO)-1H-INDOL-1- YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDZ | 0.72 | |
356 | 8-[(3R)-3-Aminopiperidin-1-yl]- 7-but-2-yn-1-yl-3-methyl-1-[(4- methylquinazolin-2-yl)methyl]-3,7- dihydro-1H-purine-2,6-dione | A,B | 2RGU | 0.71 | |
TYM | TRYPTOPHANYL-5'AMP | A,B | 2QUJ | 0.7 | |
TYM | TRYPTOPHANYL-5'AMP | A | 1I6K | 0.7 | |
TYM | TRYPTOPHANYL-5'AMP | A,B | 1R6U | 0.7 | |
TYM | TRYPTOPHANYL-5'AMP | A | 1I6M | 0.7 | |
TYM | TRYPTOPHANYL-5'AMP | A,B | 1R6T | 0.7 | |
TYM | TRYPTOPHANYL-5'AMP | A | 1I6L | 0.7 | |
CA5 | COA-S-ACETYL 5-BROMOTRYPTAMINE | A | 1KUV | 0.72 | |
L0I | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL- 6-YL)METHYL]MORPHOLIN-4-IUM | A,B | 2W1I | 0.76 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.72 | |
RRC | R-ROSCOVITINE | A | 1YGK | 0.72 | |
RRC | R-ROSCOVITINE | A | 1UNL | 0.72 | |
RRC | R-ROSCOVITINE | A | 2A4L | 0.72 | |
CA3 | COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE | A | 1KUX | 0.75 | |
WSA | 5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE | A,B,C,D | 2YY5 | 0.74 | |
MQU | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]- 7H-PYRROLO[3,2-F] QUINAZOLINE-1,3- DIAMINE | A,B | 1M7A | 0.72 | |
RC8 | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.73 | |
IDZ | 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE | A | 2C3L | 0.7 | |
IZZ | (2S)-2-{[3-(3-aminophenyl)imidazo[1,2- b]pyridazin-6-yl]amino}-3-methylbutan- 1-ol | A | 3F2N | 0.72 | |
PD3 | 1-{3-[(4-amino-1-cyclopentyl-1H- pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL7 | 0.72 | |
L0G | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4- IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL- 3-IUM | A | 2W1G | 0.76 | |
CCK | [1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid | X | 3E3B | 0.74 | |
DAK | 4-(N,N-DIMETHYLAMINO)CINNAMOYL- COA | A,B,C,D,E,F | 1EY3 | 0.73 | |
L0E | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL- 5-YL)METHYL]MORPHOLIN-4-IUM | A | 2W1E | 0.76 | |
FR4 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(3-PHENYLPROPANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1UML | 0.71 | |
BIG | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin- 3-ol | A,C | 3DP9 | 0.7 | |
BMI | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.7 | |
T74 | N~3~-(2,6-dimethylphenyl)-1-(3- methoxy-3-methylbutyl)-N~6~-(4- piperazin-1-ylphenyl)-1H-pyrazolo[3,4- d]pyrimidine-3,6-diamine | A,B | 3EQR | 0.72 | |
EZV | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A,C,D | 3F5X | 0.72 | |
EZV | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A | 3EZV | 0.72 | |
AYM | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.71 | |
2IG | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.72 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.7 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK3 | 0.71 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK7 | 0.71 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK6 | 0.71 |