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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03453075

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A966-chloro-N-pyrimidin-5-yl-3-{[3-
(trifluoromethyl)phenyl]amino}-
1,2-benzisoxazole-7-carboxamide
A,B3DTW0.72
HBM2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-
1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-
(4-METHANESULFONYLAMINO-PHENYL)-
ETHYL]-AMIDE
A2O5K0.72
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.7
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
A,D3DZU0.75
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
B2Q6S0.75
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
X1WM00.75
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID
A1OHJ0.71
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID
A1OHK0.71
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.74
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.74
L344-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-
TETRAHYDRO-2,5,6,8,9B-PENTAAZA-
CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-
GLUTAMIC ACID
A,B1DIB0.7
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.72
45P3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-
D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-
BENZAMIDE
A1RS40.75
VX14-[3-(4-chlorophenyl)-2,1-benzisoxazol-
5-yl]pyrimidin-2-amine
A3BGP0.73
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BAC0.73
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BA90.73
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
A,B2VRX0.7
PVBPURVALANOLA1CKP0.71
PVBPURVALANOLA,B1V0P0.71
PT1PTEROIC ACIDA,B1TX00.72
PT1PTEROIC ACIDA1BR60.72
PT1PTEROIC ACIDA,B1HWP0.72
138A,B,C,D1JKX0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A,B2PSJ0.72
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A2F8P0.72
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A1S360.72
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE
A2FO00.76
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE
A1OPK0.76
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE
A,B1OPL0.76
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE
A,B2G2H0.76
L37A,B1DIG0.7
45B4-{[2-({4-[2-(4-acetylpiperazin-
1-yl)-2-oxoethyl]phenyl}amino)-
5-fluoropyrimidin-4-yl]amino}-N-
(2-chlorophenyl)benzamide
A,B,C3H0Z0.71
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID
A,B1C3E0.79
PSB3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-
D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-
PHENYLSULFANYL)-BENZYL]-BENZAMIDE
A1RSD0.71
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.75
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL90.72
238A2PRH0.72
G6GN-{3-[(3-{4-[(4-methoxyphenyl)amino]-
1,3,5-triazin-2-yl}pyridin-2-yl)amino]-
4-methylphenyl}-4-[(4-methylpiperazin-
1-yl)methyl]benzamide
A,B3G6G0.71
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM
A,B1QCJ0.71
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID
A,B3DCJ0.72
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID
A,B1WSV0.72
48B2-chloro-N-[4-({5-fluoro-2-[(4-
hydroxyphenyl)amino]pyrimidin-4-
yl}amino)phenyl]benzamide
A3H0Y0.81
L24[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-
HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-
6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID
A,B1DIA0.7