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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00508985

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AK64-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-
b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide		A3DJ60.71
NMDN-NAPHTHALEN-1-YLMETHYL-2'-[3,5-
DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE		A,B,C,D,E,F1I320.7
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE		A1UYC0.73
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE		A2ORO0.79
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.72
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol		A,B,E,I,L,P3E8E0.71
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol		A,B3E8D0.71
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol		A,B,C,D,E,F3E8C0.71
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol		A,B3E880.71
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-		A1UY90.79
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE		B1O3P0.7
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE		A1O2I0.7
KIMN~4~-methyl-N~4~-(3-methyl-1H-indazol-
6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine		A3CJG0.74
7PY7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE		A,B2ETM0.71
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE		A2OVV0.7
S031-{4-[4-AMINO-5-(3-METHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-
4-OL		A,B1YOL0.7
PFE{4-[3-(6,7-DIETHOXY-QUINAZOLIN-
4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-
METHANOL		A,F1KZ80.73
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.71
PUYPUROMYCINA,B2DPT0.72
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q7Y0.72
PUZ8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-
9-PENT-9H-PURIN-6-YLAMINE		A1UYI0.72
ABO4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
INDAZOL-6-YL]-2-METHOXYPHENOL		A2C3K0.75
7414-[[3-chloro-4-(1-methylimidazol-
2-yl)sulfanyl-phenyl]amino]-7-[3-
(2-hydroxyethyl-methyl-amino)propoxy]-
6-methoxy-quinoline-3-carbonitrile		A,B,C,D,E,F,
G,H,I,J,K,L,
M,R,S,T		3F5P0.7
GS22-[(2-{[1-(N,N-dimethylglycyl)-
5-methoxy-1H-indol-6-yl]amino}-
7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-
6-fluoro-N-methylbenzamide		A3EKK0.73
L2GN-(4-{1-[4-(4-ACETYLPIPERAZIN-1-
YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE		A,B2C0O0.76
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.72
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE		A1FTD0.71
L1GN-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-
1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-
1-METHYL-1H-INDOLE-2-CARBOXAMIDE		A,B2C0I0.76
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.71
TBZ2''-(4-METHOXYPHENYL)-5-(3-AMINO-
1-PYRROLIDINYL)-2,5',2',5''-TRI-
BENZIMIDAZOLE		A,B459D0.71
TBZ2''-(4-METHOXYPHENYL)-5-(3-AMINO-
1-PYRROLIDINYL)-2,5',2',5''-TRI-
BENZIMIDAZOLE		B263D0.71
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE		A1O2K0.7
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE		A1O2J0.7
MSQ4-[3-METHYLSULFANYLANILINO]-6,7-
DIMETHOXYQUINAZOLINE		A1DI90.73
T2A5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-
f][1,2,4]triazin-2-amine		A,C3EOC0.76
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine		A,B3EN50.76
DZ82-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-
5-YL)METHYL]-9-[3-(ISOPROPYLAMINO)PROPYL]-
9H-PURIN-6-AMINE		A2H550.79
342(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-
3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE		A2ORT0.72
Q4AN-(1-benzylpiperidin-4-yl)-6,7-
dimethoxy-2-(4-methyl-1,4-diazepan-
1-yl)quinazolin-4-amine		A,B3FPD0.73
SAVN~4~-(3-methyl-1H-indazol-6-yl)-
N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine		A3CJF0.74
EZR3-methoxy-4-{3-[4-(4-methylpiperazin-
1-yl)-1H-benzimidazol-2-yl]-1H-
indazol-6-yl}aniline		A3EZR0.74
090N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-
C] QUINAZOLIN-5-YL)NICOTINAMIDE		A2CHX0.72
L3GN-(4-{4-AMINO-1-[1-(TETRAHYDRO-
2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE		A,B2C0T0.75
H718-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-
9-[3-(ISOPROPYLAMINO)PROPYL]-9H-
PURIN-6-AMINE		A2FWZ0.73
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE		A,B1UDU0.72
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE		A1XOZ0.72
PFJ6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-
2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE		A2OVY0.7
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE		A1UYM0.74
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE		A1UY60.74
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY70.72
H648-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-
9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE		A2FWY0.7
H648-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-
9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE		A1ZW90.7
3HT5-[1-(4-methoxyphenyl)-1H-benzimidazol-
6-yl]-1,3,4-oxadiazole-2(3H)-thione		A,B3F880.7
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA		A3FZS0.7
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA		A1KV20.7
PUX8-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE		A1UYK0.8
GS72-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-
7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide		A3ELJ0.7
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE		A1UYH0.74
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate		A1DD70.78
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		A,B403D0.73
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		A129D0.73
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		A,B130D0.73
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		A3F8C0.73
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1MVS0.7
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1MVT0.7
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY80.73
7117-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-2-METHYL-BENZIMIDAZOL-
1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID		A1QBO0.71