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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03392623

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.7
SROSEROTONINA,B3BRN0.71
SROSEROTONINA2QEH0.71
CK53-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YLAMINO]-PHENOL
A1PXM0.71
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEE2ERZ0.71
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEA,B2ETK0.71
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol
A,B,C,D3BHV0.73
PR14-HYDROXY-3-[2-OXO-3-(THIENO[3,2-
B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-
1-YLMETHYL]-BENZAMIDINE
A1F0T0.7
CK64-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-
5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
A1PXN0.71
S1T2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-
3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2Q5L0.7
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.71
R1T2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-
3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B,C,D,E,G3DUF0.7
R1T2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-
3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2Q5L0.7
R1T2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-
3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2VBG0.7
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
TFL2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-
3-METHYL-1,3-BENZOTHIAZOL-3-IUM
A2J3Q0.72
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine
A,B3C4F0.72
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.73
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE
A1WBW0.7
BT33-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-
BENZYL]-2-4-(2-PYRROLIDIN-1-YL-
ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-
6-OL
B,H1D3P0.76
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.71