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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00508921

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KIMN~4~-methyl-N~4~-(3-methyl-1H-indazol-
6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine
A3CJG0.75
KJ24-{4-[4-(3-AMINOPROPOXY)PHENYL]-
1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-
1,3-DIOL
A,B2BRE0.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.72
SS3(2S)-1-{[5-(3-METHYL-1H-INDAZOL-
5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-
2-AMINE
A2UZT0.79
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2UZV0.8
P4A4-[4-(4-methoxyphenyl)-5-methyl-
1H-pyrazol-3-yl]benzene-1,3-diol
A,B2ZDX0.73
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.74
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDS0.76
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDR0.76
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDV0.76
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
E2UZU0.76
2PY(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-
YL]PROPAN-2-AMINE
E2OH00.78
L5G7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-
b]pyridazin-3-yl)methoxy]quinoline
A3CD80.71
YSH1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-
1H-PYRAZOLE-4-CARBOXYLIC ACID
A,B1VDV0.71
SS43-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.] PYRAZOLE
E2UZW0.76
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.71
R8D3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-
b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
A3DRS0.74
SAVN~4~-(3-methyl-1H-indazol-6-yl)-
N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine
A3CJF0.75
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
A3FZT0.71
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE
H1UVT0.7
L09N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-
N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
A1WBN0.7
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.72
R03ALLYL-{6-[3-(4-BROMO-PHENYL)-1-
METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-
N-METHYLAMINE
A,B,C1H390.7
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A2BRC0.73
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A,B2CDD0.73
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A,B2BT00.73