Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03054199
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 |
5AP![]() | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)- 2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN- 4-AMINE | A,B | 1RWQ | 0.71 | ![]() |
SC8![]() | 5-(2,3-dichlorophenyl)-N-(pyridin- 4-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3F | 0.72 | ![]() |
TPB![]() | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)- PYRIMIDIN-2-YLAMINO]-BENZONITRILE | A | 1S6Q | 0.72 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.75 | ![]() |
984![]() | CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-[(1-METHYL)-PIPERIDIN]-4-YL-3- PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN- 2-YL}AMINE | A | 1PMN | 0.76 | ![]() |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.72 | ![]() |
SB4![]() | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.72 | ![]() |
SB4![]() | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.72 | ![]() |
VGG![]() | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.72 | ![]() |
M03![]() | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A,I | 2VO0 | 0.73 | ![]() |
OA4![]() | 5-methyl-6-phenylquinazoline-2,4- diamine | A | 2W6P | 0.74 | ![]() |
7AC![]() | 7-(aminomethyl)-6-(2-chlorophenyl)- 1-methyl-1H-benzimidazole-5-carbonitrile | A,B,C,D | 3CCC | 0.7 | ![]() |
CP6![]() | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BLA | 0.88 | ![]() |
CP6![]() | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BL9 | 0.88 | ![]() |
CP6![]() | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A,B,C,D | 1J3J | 0.88 | ![]() |
UI2![]() | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE- 2-CARBOXIMIDAMIDE | A | 1SQO | 0.72 | ![]() |
CK1![]() | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN- 2-AMINE | A | 1PXI | 0.71 | ![]() |
M05![]() | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO7 | 0.75 | ![]() |
M05![]() | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO6 | 0.75 | ![]() |
LIY![]() | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)- 2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN- 7-YL]PYRIMIDINE-2,4-DIAMINE | A,B | 2IKU | 0.72 | ![]() |
DZO![]() | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5- a]pyrimidin-5-amine | A | 3E7V | 0.71 | ![]() |
CP7![]() | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLC | 0.83 | ![]() |
CP7![]() | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLB | 0.83 | ![]() |
GVI![]() | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.74 | ![]() |
LZL![]() | 7-(2,5-dihydropyrrol-1-yl)-6-phenyl- pyrido[6,5-d]pyrimidin-2-amine | A,B | 2V5A | 0.72 | ![]() |
AP6![]() | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE | A,B | 1DMK | 0.79 | ![]() |
K10![]() | 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | L | 2PIP | 0.71 | ![]() |
5CP![]() | [4-({4-[(5-cyclopropyl-1H-pyrazol- 3-yl)amino]-6-(methylamino)pyrimidin- 2-yl}amino)phenyl]acetonitrile | A,B | 3BHH | 0.7 | ![]() |
GVJ![]() | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVZ | 0.72 | ![]() |
TAQ![]() | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.76 | ![]() |
EMU![]() | N-BENZYL-9H-PURIN-6-AMINE | A | 1W1S | 0.74 | ![]() |
DFZ![]() | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | A | 2BRM | 0.71 | ![]() |
501![]() | N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)- 5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE- 2,7-DIAMINE | A,B | 1ZGV | 0.72 | ![]() |
GVK![]() | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN- 4-YL]PHENYL}-9H-PURINE | A | 2UW0 | 0.76 | ![]() |
C2M![]() | 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE- 2,4-DIAMINE | A,B | 2AOV | 0.86 | ![]() |
SB5![]() | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.71 | ![]() |
VGF![]() | 1-(3,4-DICHLOROBENZYL)-7-PHENYL- 1H-BENZIMIDAZOL-2-AMINE | A,B,C,D | 2WD8 | 0.71 | ![]() |
D23![]() | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)- 2-(TRIFLUOROMETHYL)QUINAZOLIN-4- AMINE | A | 2B53 | 0.72 | ![]() |
UNN![]() | (6,7-DIFLUORO-QUINAZOLIN-4-YL)- (1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE | A,B,C | 5STD | 0.73 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.71 | ![]() |
880![]() | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL- 4-YL]-PYRIMIDIN-2-YL}AMINE | A | 1PMQ | 0.75 | ![]() |
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 | 0.74 | ![]() |
7IG![]() | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2IKO | 0.8 | ![]() |
7IG![]() | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2G24 | 0.8 | ![]() |
CLZ![]() | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE | A,B | 1M78 | 0.8 | ![]() |
J07![]() | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin- 2-yl]amino}-N-ethylpiperidine-1- carboxamide | A | 2P33 | 0.71 | ![]() |
TAB![]() | ACETIC ACID N-[2-CHLORO-5-[6-ETHYL- 2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]- [BENZYL-TRIAZEN-3-YL]ETHYL ESTER | A | 1VJ3 | 0.76 | ![]() |
L23![]() | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.8 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | ![]() |
JIN![]() | 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO- 3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3- D]PYRIMIDIN-7(8H)-ONE | A,B | 2HZI | 0.72 | ![]() |
ABZ![]() | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL- 4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]- BENZONITRILE | A | 1S9G | 0.7 | ![]() |
I17![]() | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]- 6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | A | 1G5S | 0.72 | ![]() |
DX2![]() | 6-phenylpteridine-2,4,7-triamine | A,B,C,D | 3BME | 0.74 | ![]() |
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 | ![]() |
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 | 0.81 | ![]() |
JI3![]() | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3DQS | 0.81 | ![]() |
855![]() | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.72 | ![]() |
KSF![]() | N-(2-chlorophenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZM1 | 0.74 | ![]() |
M04![]() | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A | 2VO3 | 0.74 | ![]() |
AA2![]() | 4-ARYL-2-PHENYLAMINO PYRIMIDINE | A | 1OEC | 0.74 | ![]() |
PP2![]() | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A,B | 3GEQ | 0.76 | ![]() |
PP2![]() | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A | 2ZV9 | 0.76 | ![]() |
PP2![]() | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A | 1QPE | 0.76 | ![]() |
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 | ![]() |
AS3![]() | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.73 | ![]() |
CPZ![]() | 4-(4-CHLOROPHENYL)IMIDAZOLE | A | 1SUO | 0.74 | ![]() |
HM2![]() | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.8 | ![]() |
WAI![]() | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN- 1-YL]PYRIDIN-4-YL}-N-(3-CHLORO- 4-METHYLPHENYL)PYRIMIDIN-2-AMINE | A | 1Y2F | 0.8 | ![]() |
L17![]() | L17 | A,B | 1Z71 | 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 | ![]() |
RBS![]() | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.71 | ![]() |
RW1![]() | 4-phenylpyrimidine | A,B,C | 3B9S | 0.76 | ![]() |
PP1![]() | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 2IVV | 0.72 | ![]() |
PP1![]() | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 1QCF | 0.72 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.73 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.73 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.73 | ![]() |
LIH![]() | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.72 | ![]() |