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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01015448

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O340.7
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O310.7
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O330.7
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O320.7
0392-((9H-PURIN-6-YLTHIO)METHYL)-5-
CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-
4(3H)-ONE
A2CHW0.76
LIE2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-
9-ISOPROPYL-9H-PURIN-8-AMINE
A2GTN0.78
AK64-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-
b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
A3DJ60.71
T2A5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-
f][1,2,4]triazin-2-amine
A,C3EOC0.7
2C52-CHLORO-5-(3-CHLORO-PHENYL)-6-
[(4-CYANO-PHENYL)-(3-METHYL-3H-
IMIDAZOL-4-YL)- METHOXYMETHYL]-
NICOTINONITRILE
B1NI10.76
GW7N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-
6-ethylthieno[3,2-d]pyrimidin-4-
amine
A,B2R4B0.76
BZ9N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)naphthalen-
1-yl]-1H-benzimidazol-2-amine
A3DA60.72
7X1N-(5-chloro-1,3-benzodioxol-4-yl)-
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-
4-amine
A2VWU0.71
MSQ4-[3-METHYLSULFANYLANILINO]-6,7-
DIMETHOXYQUINAZOLINE
A1DI90.72
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.75
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL
A2BDJ0.72
PU98-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-
9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
A1UYE0.74
3334-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE
A2ORR0.71
BLZ5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-
1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-
2-THIOPHENECARBOXAMIDE
A,C2I400.72
IHI9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-
1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-
2-CARBONITRILE
A1U9W0.73
HDY1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-
A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-
2-OL
A1OIR0.74
LIB3-(2-CHLOROPHENYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHL0.74
KTNCIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-
2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-
DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
A1JIP0.74
KTNCIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-
2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-
DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
A1JIN0.74
KLN1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-
DICHLOROPHENYL)-2-(1H-IMIDAZOL-
1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
A,B,C,D2V0M0.74
FAL(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H010.72
7PY7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
A,B2ETM0.71
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.72
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.8
PRDN6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE
A1BOZ0.74
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.71
CID6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-
5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME
A,C,D1XVP0.74
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea
A,B3EFW0.71
KIMN~4~-methyl-N~4~-(3-methyl-1H-indazol-
6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine
A3CJG0.7
PUZ8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-
9-PENT-9H-PURIN-6-YLAMINE
A1UYI0.72
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
3F5P0.78
PNU6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-
5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-
YLAMINE
A1IKX0.73
LIC3-(2-CHLOROBENZYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHM0.77
6CPA,C1H1R0.71
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.71
S031-{4-[4-AMINO-5-(3-METHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-
4-OL
A,B1YOL0.73
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1MVS0.71
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1MVT0.71
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
7117-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-2-METHYL-BENZIMIDAZOL-
1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
A1QBO0.7
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.74
3914-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE
A2ORS0.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D,U,X1FM60.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B2PRG0.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A1ZGY0.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B3CS80.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D3DZY0.72
FBL(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H010.72
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.75
6633-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-
2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-
4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-
2-CARBOXAMIDE
B2P3U0.72
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY80.77
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O2N0.7
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O2M0.7
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O2L0.7
9722-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2P0.72
3HT5-[1-(4-methoxyphenyl)-1H-benzimidazol-
6-yl]-1,3,4-oxadiazole-2(3H)-thione
A,B3F880.75
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
A3EID0.7
QQ2[(2-CHLORO-5-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO]ACETONITRILE
A,B,C,D2IW60.73
9933-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-
1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-
CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-
6-METHOXY-PHENYL]-AMIDE
B2P3T0.72
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,F3E8C0.72
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,B3E880.72
PFE{4-[3-(6,7-DIETHOXY-QUINAZOLIN-
4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-
METHANOL
A,F1KZ80.71
COQ2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1LY40.73
2764-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-
3H-benzimidazol-5-yl]oxy]-N-methyl-
pyridine-2-carboxamide
A2QU50.73
7X5N'-(5-chloro-1,3-benzodioxol-4-
yl)-N-(3-methylsulfonylphenyl)pyrimidine-
2,4-diamine
A2VWY0.71
7X6N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-
4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE
A2VWZ0.71
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.7
PUX8-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE
A1UYK0.71
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE
A,B2QJR0.74
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL90.72
5AP5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-
2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-
4-AMINE
A,B1RWQ0.72
PU89-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-
BENZYL)-9H-PURIN-6-YLAMINE
A1UYD0.75
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE
A1UYC0.76
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B403D0.74
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A129D0.74
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B130D0.74
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A3F8C0.74
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine
A,B3C4F0.72
IHJ9-CYCLOPENTYL-6-{2-[3-(4-METHYL-
PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-
9H-PURINE-2-CARBONITRILE
A1U9X0.72
PU18-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-
2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-
6-YLAMINE
A1UYF0.72
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,P3E8E0.73
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,B3E8D0.73
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
G2FJV0.72
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
B2FJX0.72
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.71
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHU0.72
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.75
L5G7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-
b]pyridazin-3-yl)methoxy]quinoline
A3CD80.7
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME
A,B2FB80.74
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-
A1UY90.73
7X7N'-(5-CHLORO-1,3-BENZODIOXOL-4-
YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-
2,4-DIAMINE
A2VX00.7
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.71
342(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-
3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE
A2ORT0.73
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE
A1UYH0.74
PFJ6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-
2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
A2OVY0.73
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE
A1FTD0.7
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE
A1UYM0.73
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE
A1UY60.73
AM0N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-
1,3,5-triazin-2-yl}-1H-benzimidazol-
2-amine
A3BYM0.7
MFR4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHT0.73