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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02101454

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SS3(2S)-1-{[5-(3-METHYL-1H-INDAZOL-
5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-
2-AMINE
A2UZT0.76
2PY(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-
YL]PROPAN-2-AMINE
E2OH00.73
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A2BRC0.71
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A,B2CDD0.71
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A,B2BT00.71
BERBERBERINEA3D6Y0.71
BERBERBERINEA,B,D,E1JUM0.71
BERBERBERINEA,B,D,E3BTI0.71
BERBERBERINEA2QVD0.71
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.73
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,C1H3A0.77
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.71
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
YSH1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-
1H-PYRAZOLE-4-CARBOXYLIC ACID
A,B1VDV0.75
KJ24-{4-[4-(3-AMINOPROPOXY)PHENYL]-
1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-
1,3-DIOL
A,B2BRE0.74
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A,B3EN50.73
SS43-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.] PYRAZOLE
E2UZW0.73
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2UZV0.76
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.73
KN14-[1-allyl-7-(trifluoromethyl)-
1H-indazol-3-yl]benzene-1,3-diol
A,B2QZO0.75
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.72
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDS0.74
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDR0.74
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDV0.74
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
E2UZU0.74
UI37-METHOXY-8-[1-(METHYLSULFONYL)-
1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE
A1SQT0.74
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
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.71
AI32,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-
C]ISOQUINOLIN-6-IUM
A,C,D1TL80.7
869(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-
4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-
2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE
A1TFZ0.7
869(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-
4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-
2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE
A,B1SQI0.7
T4BA2NNQ0.77
P4A4-[4-(4-methoxyphenyl)-5-methyl-
1H-pyrazol-3-yl]benzene-1,3-diol
A,B2ZDX0.76
R03ALLYL-{6-[3-(4-BROMO-PHENYL)-1-
METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-
N-METHYLAMINE
A,B,C1H390.78
PQB[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
A2BAQ0.71
PQB[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
A2GFS0.71
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.7