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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00172784

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2UZV0.82
KIMN~4~-methyl-N~4~-(3-methyl-1H-indazol-
6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine
A3CJG0.73
FPTN-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-
N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA
A1DTQ0.71
BERBERBERINEA3D6Y0.71
BERBERBERINEA,B,D,E1JUM0.71
BERBERBERINEA,B,D,E3BTI0.71
BERBERBERINEA2QVD0.71
R04(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-
5-FLUORO-1-METHYL-1H-INDAZOL-6-
YL]OXY}-N-METHYL-2-BUTEN-1-AMINE
A,B,C1H3A0.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.71
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.71
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.71
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.73
6EA(1S)-1-(1H-INDOL-3-YLMETHYL)-2-
(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-
5-YLOXY)-EHYLAMINE
E2F7Z0.72
4JZ1-[5-tert-butyl-2-(4-methylphenyl)-
1,2-dihydro-3H-pyrazol-3-ylidene]-
3-{3-[(pyridin-3-yloxy)methyl]-
1H-pyrazol-5-yl}urea
A3FZT0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.74
T4BA2NNQ0.71
R8D3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-
b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
A3DRS0.71
SS3(2S)-1-{[5-(3-METHYL-1H-INDAZOL-
5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-
2-AMINE
A2UZT0.82
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDS0.79
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDR0.79
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDV0.79
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
E2UZU0.79
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.75
YSH1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-
1H-PYRAZOLE-4-CARBOXYLIC ACID
A,B1VDV0.74
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A,B3EN50.71
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.74
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE
H1UVT0.72
L09N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-
N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
A1WBN0.73
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.71
4PY(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-
PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
E2OJF0.72
2PY(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-
YL]PROPAN-2-AMINE
E2OH00.82
R03ALLYL-{6-[3-(4-BROMO-PHENYL)-1-
METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-
N-METHYLAMINE
A,B,C1H390.73
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME
A,B2FB80.7
MFR4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHT0.7
SS43-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.] PYRAZOLE
E2UZW0.79
PO5(2S)-1-(dimethylamino)-3-(4-{[4-
(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-
3-yl)pyrimidin-2-yl]amino}phenoxy)propan-
2-ol
A3EID0.72
SAVN~4~-(3-methyl-1H-indazol-6-yl)-
N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine
A3CJF0.73
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
E2F7E0.72
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHU0.72
PZ23-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-
3-ylmethyl)phenoxy]-5-methylbenzonitrile
A3E010.71
L5G7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-
b]pyridazin-3-yl)methoxy]quinoline
A3CD80.72
3P45-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-
3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-
3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A2CHM0.7
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE
A,B2QJR0.72