Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01685567
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 |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.78 | |
WAI | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN- 1-YL]PYRIDIN-4-YL}-N-(3-CHLORO- 4-METHYLPHENYL)PYRIMIDIN-2-AMINE | A | 1Y2F | 0.7 | |
AT6 | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.73 | |
TPB | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)- PYRIMIDIN-2-YLAMINO]-BENZONITRILE | A | 1S6Q | 0.72 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.74 | |
6IG | 6-ETHYL-5-[1-(3-METHOXYPROPYL)- 1,2,3,4-TETRAHYDROQUINOLIN-7-YL]- N~4~-(2-PHENYLETHYL)PYRIMIDINE- 2,4-DIAMINE | A,B | 2G22 | 0.7 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.72 | |
855 | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.71 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.71 | |
STS | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.71 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.75 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2IKO | 0.76 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2G24 | 0.76 | |
I17 | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]- 6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | A | 1G5S | 0.71 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.73 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.8 | |
HM2 | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.73 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.72 | |
UNN | (6,7-DIFLUORO-QUINAZOLIN-4-YL)- (1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE | A,B,C | 5STD | 0.73 | |
OA4 | 5-methyl-6-phenylquinazoline-2,4- diamine | A | 2W6P | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.71 | |
P5C | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.7 | |
084 | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.7 | |
JI1 | 3-({(3S,4S)-4-[(6-aminopyridin- 2-yl)methyl]pyrrolidin-3-yl}amino)propan- 1-ol | A,B | 3B3M | 0.8 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.75 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.75 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLC | 0.75 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLB | 0.75 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.74 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.75 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.79 | |
JI3 | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3B3O | 0.79 | |
JI3 | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3DQS | 0.79 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.71 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.85 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.85 | |
AP6 | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE | A,B | 1DMK | 0.72 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.71 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.71 | |
5CP | [4-({4-[(5-cyclopropyl-1H-pyrazol- 3-yl)amino]-6-(methylamino)pyrimidin- 2-yl}amino)phenyl]acetonitrile | A,B | 3BHH | 0.71 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.71 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.71 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.7 | |
TAQ | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.74 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.73 | |
AEE | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2J6M | 0.7 | |
AEE | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2JIU | 0.7 | |
AEE | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2ITT | 0.7 | |
AEE | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2ITP | 0.7 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.7 | |
5MS | N-{2-methyl-5-[(6-phenylpyrimidin- 4-yl)amino]phenyl}methanesulfonamide | A | 3EXO | 0.73 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 2ZD1 | 0.72 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A | 2ZE2 | 0.72 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 3BGR | 0.72 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.71 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.71 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.71 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.71 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.71 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.71 | |
SB6 | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL- 5-(4-PYRIDYL)-IMIDAZOLE | A | 1BL6 | 0.71 | |
LIH | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.71 | |
IMB | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1R | 0.71 | |
JI7 | N-{(3R,4S)-4-[(6-amino-4-methylpyridin- 2-yl)methyl]pyrrolidin-3-yl}-N'- (3-chlorobenzyl)ethane-1,2-diamine | A,B | 3B3P | 0.79 | |
JI7 | N-{(3R,4S)-4-[(6-amino-4-methylpyridin- 2-yl)methyl]pyrrolidin-3-yl}-N'- (3-chlorobenzyl)ethane-1,2-diamine | A,B | 3DQT | 0.79 |