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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02921314

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.79
K514-(6-{[(1S)-1-(HYDROXYMETHYL)-2-
METHYLPROPYL]AMINO}IMIDAZO[1,2-
B]PYRIDAZIN-3-YL)BENZONITRILE
X2PMN0.72
3SC5-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)-3-thiocyanatopyrazolo[1,5-
a]pyrimidin-7-amine
A2R3P0.73
POX4-amino-6-{[1-(3-fluorobenzyl)-
1H-indazol-5-yl]amino}pyrimidine-
5-carbaldehyde O-(2-methoxyethyl)oxime
A3BEL0.7
KS11-cyclopentyl-3-(1H-pyrrolo[2,3-
b]pyridin-5-yl)-1H-pyrazolo[3,4-
d]pyrimidin-4-amine
A,B3EN40.74
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3N0.8
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A,B3GEQ0.7
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A2ZV90.7
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1QPE0.7
LZC5-[(4-AMINOCYCLOHEXYL)AMINO]-7-
(PROPAN-2-YLAMINO)PYRAZOLO[1,5-
A]PYRIMIDINE-3-CARBONITRILE
A2VTS0.71
HYZN-[1-(3-fluorobenzyl)-1H-indazol-
5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-
4,6-diamine
A2RGP0.72
T74N~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,B3EQR0.71
P0419-(cyclopropylamino)-4,6,7,15-
tetrahydro-5H-16,1-(azenometheno)-
10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-
8(9H)-one
A3BE90.78
9285-amino-1-(4-chlorophenyl)-1H-pyrazole-
4-carbonitrile
A3EJ20.72
SCQ3-bromo-5-phenyl-N-(pyrimidin-5-
ylmethyl)pyrazolo[1,5-a]pyridin-
7-amine
A2R3K0.75
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.83
VGG1-tert-butyl-3-(3-methylbenzyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A2WEI0.75
P552-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVL0.81
NPZ1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-
d]pyrimidin-4-amine
A3ENE0.74
CT94-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-
3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-
7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE
A1Y910.75
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.71
CT7(5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-
7-YL)-(4-METHANESULFONYLPHENYL)AMINE
A1Y8Y0.7
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.8
CT8(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-
1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-
1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-
A]PYRIMIDIN-7-AMINE
A2C690.73
VX2N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-
b]pyridazin-6-amine
A3BGQ0.73
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.71
NNN(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-
a][1,3,5]triazin-2-yl]amino}butan-
1-ol
A,B,C,D3DOG0.8
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile
A,B3BHH0.71
P19N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-
2,4-DIAMINE
A2PVH0.77
SC85-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3F0.76
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.7
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE
A2PVM0.74
K101-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
L2PIP0.74
KS51-(1-methylethyl)-3-quinolin-6-
yl-1H-pyrazolo[3,4-d]pyrimidin-
4-amine
B3EN60.73
P63N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
A2PVN0.78
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.73
5SC3-((3-bromo-5-o-tolylpyrazolo[1,5-
a]pyrimidin-7-ylamino)methyl)pyridine 1-
oxide
A2R3Q0.78
F291-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-
A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-
C]PYRIDAZIN-3-AMINE
A1WZY0.75
PD31-{3-[(4-amino-1-cyclopentyl-1H-
pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL70.74
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.74
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.74
SCXN-((2-aminopyrimidin-5-yl)methyl)-
5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-
a]pyrimidin-7-amine
A2R3M0.85
PP11-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-4-YLAMINE
A2IVV0.77
PP11-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-4-YLAMINE
A1QCF0.77
2SC(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-
a]pyrimidin-3-yl)methanol
A2R3O0.76
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.8
CT6(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-
1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-
1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-
7-AMINE
A2C680.72
PD51-{4-[4-amino-1-(1-methylethyl)-
1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL80.76
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.85
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.8