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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03640017

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KS51-(1-methylethyl)-3-quinolin-6-
yl-1H-pyrazolo[3,4-d]pyrimidin-
4-amine
B3EN60.71
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.75
M031-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A,I2VO00.73
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.76
9285-amino-1-(4-chlorophenyl)-1H-pyrazole-
4-carbonitrile
A3EJ20.73
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.76
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO70.73
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO60.73
2SC(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-
a]pyrimidin-3-yl)methanol
A2R3O0.73
3SC5-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)-3-thiocyanatopyrazolo[1,5-
a]pyrimidin-7-amine
A2R3P0.77
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,D3DOG0.72
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.73
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.73
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.7
P63N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
A2PVN0.71
6NP6((S)-3-BENZYLPIPERAZIN-1-YL)-3-
(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-
YL)PYRAZINE
A1YQJ0.7
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.75
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
A3BE90.7
M041-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A2VO30.73
5SC3-((3-bromo-5-o-tolylpyrazolo[1,5-
a]pyrimidin-7-ylamino)methyl)pyridine 1-
oxide
A2R3Q0.75
3FR3'-chloro-5'-(3-methyl-6-{[(1S)-
1-phenylethyl]amino}-1H-pyrazolo[4,3-
c]pyridin-1-yl)biphenyl-2-carboxamide
A3DBD0.71
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3N0.77
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.72
P552-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVL0.73
BMU1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-
3-YL)-3-(4-CHLORO-PHENYL)-UREA
A1KV10.72
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A,B3GEQ0.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A2ZV90.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1QPE0.71
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.82
P19N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-
2,4-DIAMINE
A2PVH0.75
CT94-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-
3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-
7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE
A1Y910.7
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.84
SCXN-((2-aminopyrimidin-5-yl)methyl)-
5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-
a]pyrimidin-7-amine
A2R3M0.73
SC85-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3F0.8