MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00593809

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE		A1O3M0.77
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE		A1O3O0.77
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE		A1O3N0.77
AM0N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-
1,3,5-triazin-2-yl}-1H-benzimidazol-
2-amine		A3BYM0.82
BZ9N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)naphthalen-
1-yl]-1H-benzimidazol-2-amine		A3DA60.72
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY80.79
PUZ8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-
9-PENT-9H-PURIN-6-YLAMINE		A1UYI0.74
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.72
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		A109D0.7
GIGMETHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
1H-BENZIMIDAZOL-2-YL)CARBAMATE		A2OH40.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE		H1O5D0.74
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE		H1O5F0.74
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE		B1O5C0.74
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE		H,I1O5G0.74
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE		A1O2R0.74
7117-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-2-METHYL-BENZIMIDAZOL-
1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID		A1QBO0.75
MSR4-(1H-IMIDAZOL-1-YL)PHENOLA2ORQ0.8
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.72
S031-{4-[4-AMINO-5-(3-METHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-
4-OL		A,B1YOL0.7
2071-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINEA1H0W0.74
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE		A1UYC0.78
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.76
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O340.75
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O310.75
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O330.75
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O320.75
IHI9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-
1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-
2-CARBONITRILE		A1U9W0.77
LIB3-(2-CHLOROPHENYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA		A2GHL0.7
BWP(2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-
2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H080.72
T2A5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-
f][1,2,4]triazin-2-amine		A,C3EOC0.73
BZIBENZIMIDAZOLEA1RYC0.71
BZIBENZIMIDAZOLEA1L5F0.71
BZIBENZIMIDAZOLEA1KXM0.71
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL		X2A0C0.71
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE		A1O350.75
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.72
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE		B1O3P0.75
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE		A1O2I0.75
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.71
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3K0.71
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3J0.71
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHS0.7
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHY0.72
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY70.81
COQ2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1LY40.71
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHQ0.71
9502-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE		A1O2O0.75
PRDN6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE		A1BOZ0.72
PFJ6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-
2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE		A2OVY0.72
3914-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE		A2ORS0.77
7PY7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE		A,B2ETM0.72
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI40.74
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI20.74
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O390.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3D0.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3C0.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3A0.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3B0.72
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine		A,B3C4F0.74
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL		A303D0.72
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL		A302D0.72
9722-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE		A1O2P0.72
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE		A1FTD0.74
1336-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-
PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GJ80.72
3122-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-METHOXY-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE		A1O2Z0.71
3HT5-[1-(4-methoxyphenyl)-1H-benzimidazol-
6-yl]-1,3,4-oxadiazole-2(3H)-thione		A,B3F880.84
PU28-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-
9H-PURIN-6-YLAMINE		A1UYG0.72
FAP(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H000.73
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.77
TBZ2''-(4-METHOXYPHENYL)-5-(3-AMINO-
1-PYRROLIDINYL)-2,5',2',5''-TRI-
BENZIMIDAZOLE		A,B459D0.73
TBZ2''-(4-METHOXYPHENYL)-5-(3-AMINO-
1-PYRROLIDINYL)-2,5',2',5''-TRI-
BENZIMIDAZOLE		B263D0.73
3334-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE		A2ORR0.77
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJB0.7
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GJ50.7
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJC0.7
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O380.71
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O370.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.71
PUX8-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE		A1UYK0.71
FCP(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H000.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI00.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GI80.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GHW0.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI10.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI30.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHX0.74
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid		A,B,C,D3GNC0.71
1722-AMINO-5-HYDROXY-BENZIMIDAZOLEA1FV90.76
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.76
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.76
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI90.78
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GI50.78
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.88
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea		A,B3EFW0.7
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE		A,B,C,D2NRU0.71
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE		G2FJV0.77
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE		B2FJX0.77
342(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-
3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE		A2ORT0.74
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.72
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE		A1PF80.72
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine		A,B,C,D3BHU0.72
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE		A1UYH0.75
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,F3E8C0.74
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,B3E880.74
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE		A1L5K0.7
MFR4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine		A,B,C,D3BHT0.74
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-		A1UY90.73
N206-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINEA,B,C,D1OI90.73
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,B,E,I,L,P3E8E0.74
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,B3E8D0.74
B354-[(1S)-1-(3-fluoro-4-methoxyphenyl)-
2-(2-methoxy-5-nitrophenyl)ethyl]-
1H-imidazol-2-amine		A,B,C3H0B0.71
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
BYP(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-
2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H080.72
IHJ9-CYCLOPENTYL-6-{2-[3-(4-METHYL-
PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-
9H-PURINE-2-CARBONITRILE		A1U9X0.78
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		A,B403D0.75
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		A129D0.75
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		A,B130D0.75
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		A3F8C0.75
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE		A,B2QJR0.72
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME		A,B2FB80.73
G934-{2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-1-ethyl-7-[(3S)-
piperidin-3-ylmethoxy]-1H-imidazo[4,5-
c]pyridin-4-yl}-2-methylbut-3-en-
2-ol		A,B3D0E0.71
HDY1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-
A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-
2-OL		A1OIR0.79
LIE2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-
9-ISOPROPYL-9H-PURIN-8-AMINE		A2GTN0.82
PMON1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHOXYBENZIMIDAZOLE		A1JHQ0.8
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE		A1O2K0.76
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE		A1O2J0.76
BZCA1EFY0.74