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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02089774

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AK21-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-
d]pyrimidin-4-ylamino)ethyl]-1,3-
thiazol-2-yl}urea
A3D150.73
QINN-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-
2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-
6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
A2OAH0.75
G95N-[(1S)-2-amino-1-phenylethyl]-
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-
2-carboxamide
A,B3E870.79
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.78
AK71-(5-{2-[(6-amino-5-bromopyrimidin-
4-yl)amino]ethyl}-1,3-thiazol-2-
yl)-3-[3-(trifluoromethyl)phenyl]urea
A3DJ70.7
1074-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-
8-YLMETHYL)-AMINO]-N-PYRIDIN-2-
YL-BENZENESULFONAMIDE
A,C1FVV0.72
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide
A,B2VQV0.77
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide
A2VQM0.77
3495-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-1,3-dihydro-2H-indol-
2-one
A3ET70.73
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE
A,B1W220.7
LOI2-(methylamino)-N-(4-methyl-1,3-
thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-
triazol-3-yl)sulfanyl]benzamide
A3GOI0.71
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A2RHQ0.71
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A,B,C,D2RHS0.71
YAMN-methyl-N-{3-[({2-[(2-oxo-2,3-
dihydro-1H-indol-5-yl)amino]-5-
(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-
2-yl}methanesulfonamide
A3BZ30.71
P176-(2,6-DICHLORO-PHENYL)-8-METHYL-
2-(3-METHYLSULFANYL-PHENYLAMINO)-
8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
A,B1M520.7
3JZN-methyl-N-{2-[({2-[(2-oxo-2,3-
dihydro-1H-indol-5-yl)amino]-5-
(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
A3FZR0.73
304N-[2-methyl-5-(methylcarbamoyl)phenyl]-
2-{[(1R)-1-methylpropyl]amino}-
1,3-thiazole-5-carboxamide
A3BX50.71
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A,B2VQQ0.71
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A,B2VQO0.71
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A2VQJ0.71
AJI3-[(4-fluorophenyl)sulfanyl]-N-
(4-methyl-1,3-thiazol-2-yl)-6-[(4-
methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-
2-carboxamide
X3A0I0.71
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.7
B18(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-
1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-
6-CARBOXAMIDE
A,B,C2PZY0.72
796N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-
5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-
2-CARBOXAMIDE
A2GU80.74
LS44-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-
3-YLIDENE)METHYL]AMINO}-N-(1,3-
THIAZOL-2-YL)BENZENESULFONAMIDE
A1KE80.75
325N-{2,4-difluoro-3-[(5-pyridin-3-
yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
A3C4D0.71
F32(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-
2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-
3-ONE 1,1-DIOXIDE
A2CNF0.72
S986-amino-2-[(thiophen-2-ylmethyl)amino]-
1,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one
A3C2Z0.71
6852-{2-[(3,5-dimethylphenyl)amino]pyrimidin-
4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-
4-methyl-1,3-thiazole-5-carboxamide
A3EMG0.7
165N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-
N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE
H,I1SB10.72
815THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-
(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-
2-OXO-PYRROLDIN-3-YL]-AMIDE
A1F0R0.72