Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02816997
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 |
I1P | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | A | 1URW | 0.71 | |
LZL | 7-(2,5-dihydropyrrol-1-yl)-6-phenyl- pyrido[6,5-d]pyrimidin-2-amine | A,B | 2V5A | 0.7 | |
VGG | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.72 | |
OLO | OLOMOUCINE | A | 4ERK | 0.7 | |
OLO | OLOMOUCINE | C | 1W0X | 0.7 | |
CK2 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A,C | 2C5O | 0.8 | |
CK2 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A | 1PXJ | 0.8 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.75 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.75 | |
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 | |
GVH | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.71 | |
AK2 | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2- d]pyrimidin-4-ylamino)ethyl]-1,3- thiazol-2-yl}urea | A | 3D15 | 0.74 | |
24A | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.71 | |
C4E | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.75 | |
JNF | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 0.74 | |
K10 | 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | L | 2PIP | 0.71 | |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.73 | |
EMU | N-BENZYL-9H-PURIN-6-AMINE | A | 1W1S | 0.74 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.73 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLC | 0.71 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLB | 0.71 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.74 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.74 | |
U55 | 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | A | 1JSV | 0.81 | |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.73 | |
SC9 | 6-(2-fluorophenyl)-N-(pyridin-3- ylmethyl)imidazo[1,2-a]pyrazin- 8-amine | A | 2R3G | 0.72 | |
U32 | 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE | A | 2BTS | 0.71 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.72 | |
L22 | 4-(2-amino-1,3-thiazol-4-yl)pyrimidin- 2-amine | A,B | 2W70 | 0.76 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 2ZD1 | 0.71 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A | 2ZE2 | 0.71 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 3BGR | 0.71 | |
LI8 | N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN- 1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN- 4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE | A | 1Z5M | 0.72 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.72 | |
AK7 | 1-(5-{2-[(6-amino-5-bromopyrimidin- 4-yl)amino]ethyl}-1,3-thiazol-2- yl)-3-[3-(trifluoromethyl)phenyl]urea | A | 3DJ7 | 0.75 | |
GVI | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.72 | |
AX5 | 6-(benzylsulfanyl)pyrimidine-2,4- diamine | A,B,C,D | 3BMQ | 0.7 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.77 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.77 | |
P1E | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}- 5-(trifluoromethyl)pyrimidin-2- yl]amino}-N-methylbenzenesulfonamide | A | 3H3C | 0.72 | |
GVJ | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVZ | 0.71 | |
TQ3 | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE | A,B | 1IA1 | 0.71 | |
FRT | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.7 | |
PY8 | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA- 1(18),3(19),4,6,14,16-HEXAENE 13,13- DIOXIDE | A | 2J9M | 0.75 | |
KSL | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.7 | |
AX4 | 6-[(4-methylphenyl)sulfanyl]pyrimidine- 2,4-diamine | A,B,C,D | 3BMO | 0.7 | |
FRV | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H- IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}- N-METHYLBENZENESULFONAMIDE | A | 2W06 | 0.72 | |
I17 | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]- 6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | A | 1G5S | 0.72 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2G | 0.72 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2H | 0.72 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2HKC | 0.72 | |
LID | 8-(2-CHLOROPHENYLAMINO)-2-(2,6- DIFLUOROPHENYLAMINO)-9-ETHYL-9H- PURINE-1,7-DIIUM | A | 2GTM | 0.7 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.82 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.82 | |
STS | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.72 | |
GAX | 1-{3-[(4-pyridin-2-ylpiperazin- 1-yl)sulfonyl]phenyl}-3-(1,3-thiazol- 2-yl)urea | A | 2RHQ | 0.73 | |
GAX | 1-{3-[(4-pyridin-2-ylpiperazin- 1-yl)sulfonyl]phenyl}-3-(1,3-thiazol- 2-yl)urea | A,B,C,D | 2RHS | 0.73 | |
TMG | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE | A | 1YVM | 0.75 | |
MTZ | 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN- 4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN- 4-YL}-1,3-THIAZOL-2-AMINE | A,C,E,F | 2UUE | 0.7 | |
5MS | N-{2-methyl-5-[(6-phenylpyrimidin- 4-yl)amino]phenyl}methanesulfonamide | A | 3EXO | 0.72 | |
MPI | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.7 | |
CKE | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin- 1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin- 2-yl}methanamine | A | 2R6N | 0.72 | |
TPB | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)- PYRIMIDIN-2-YLAMINO]-BENZONITRILE | A | 1S6Q | 0.71 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.74 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.74 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.74 | |
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 | |
TAQ | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.7 | |
GW3 | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2- F]QUINAZOLINE-1,3-DIAMINE | A,B | 1AOE | 0.73 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.76 | |
SB5 | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.7 | |
HDT | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.75 | |
CK7 | [4-(2-AMINO-4-METHYL-THIAZOL-5- YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)- AMINE | A | 1PXO | 0.77 | |
CK7 | [4-(2-AMINO-4-METHYL-THIAZOL-5- YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)- AMINE | A,C | 2C5P | 0.77 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.7 | |
BZI | BENZIMIDAZOLE | A | 1RYC | 0.72 | |
BZI | BENZIMIDAZOLE | A | 1L5F | 0.72 | |
BZI | BENZIMIDAZOLE | A | 1KXM | 0.72 | |
1MS | N-[(4-methylpyrimidin-2-yl)carbamoyl]- 2-nitrobenzenesulfonamide | A | 3E9Y | 0.7 | |
DLI | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | B | 2OAG | 0.71 | |
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 | |
TQ4 | 5-[(4-METHYLPHENYL)SULFANYL]-2,4- QUINAZOLINEDIAMINE | A,B | 1IA2 | 0.7 | |
CK3 | N-[4-(2,4-DIMETHYL-1,3-THIAZOL- 5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | A | 1PXK | 0.77 | |
AD5 | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.71 |