Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00065500
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 |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.77 | ![]() |
6IP![]() | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.71 | ![]() |
CP6![]() | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BLA | 0.81 | ![]() |
CP6![]() | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BL9 | 0.81 | ![]() |
CP6![]() | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A,B,C,D | 1J3J | 0.81 | ![]() |
IET![]() | 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO- PHENYL)-1-IMINO-ETHYL]-THIOUREA | A | 1S6P | 0.71 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.72 | ![]() |
AS3![]() | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.79 | ![]() |
C2M![]() | 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE- 2,4-DIAMINE | A,B | 2AOV | 0.78 | ![]() |
M03![]() | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A,I | 2VO0 | 0.7 | ![]() |
EPJ![]() | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.71 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.72 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.71 | ![]() |
CLZ![]() | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE | A,B | 1M78 | 0.72 | ![]() |
HM2![]() | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.71 | ![]() |
7IG![]() | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2IKO | 0.7 | ![]() |
7IG![]() | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2G24 | 0.7 | ![]() |
JI2![]() | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.73 | ![]() |
JI2![]() | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.73 | ![]() |
CP7![]() | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLC | 0.74 | ![]() |
CP7![]() | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLB | 0.74 | ![]() |
ABZ![]() | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL- 4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]- BENZONITRILE | A | 1S9G | 0.72 | ![]() |
5CP![]() | [4-({4-[(5-cyclopropyl-1H-pyrazol- 3-yl)amino]-6-(methylamino)pyrimidin- 2-yl}amino)phenyl]acetonitrile | A,B | 3BHH | 0.71 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.7 | ![]() |
C4C![]() | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.73 | ![]() |
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 | 0.81 | ![]() |
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 | 0.81 | ![]() |
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 | 0.82 | ![]() |
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 | 0.82 | ![]() |
AT6![]() | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.71 | ![]() |
M05![]() | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO7 | 0.71 | ![]() |
M05![]() | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO6 | 0.71 | ![]() |
CPZ![]() | 4-(4-CHLOROPHENYL)IMIDAZOLE | A | 1SUO | 0.73 | ![]() |
HUX![]() | 3-CHLORO-9-ETHYL-6,7,8,9,10,11- HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN- 12-AMINE | A | 1E66 | 0.72 | ![]() |