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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02287844

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1722-AMINO-5-HYDROXY-BENZIMIDAZOLEA1FV90.72
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL90.71
5AP5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-
2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-
4-AMINE		A,B1RWQ0.71
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.73
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.75
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.75
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.7
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O2N0.71
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O2M0.71
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O2L0.71
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol		A,B,C,D3BHV0.75
FRKN-[4,5-BIS(4-HYDROXYPHENYL)-1,3-
THIAZOL-2-YL]HEXANAMIDE		A1WXY0.74
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol		A,B3F660.74
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.74
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.74
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.74
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.72
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.73
AQ4[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-
4-YL]-(3-ETHYNYLPHENYL)AMINE		A1M170.71
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		X3F0B0.8
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		X3F0U0.8
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		A109D0.73
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE		A1O350.74
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.72
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine		A,B3BLA0.77
Q4AN-(1-benzylpiperidin-4-yl)-6,7-
dimethoxy-2-(4-methyl-1,4-diazepan-
1-yl)quinazolin-4-amine		A,B3FPD0.71
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O380.75
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O370.75
RB13-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)METHYL]PHENOL		A2PIQ0.77
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE		A1U710.7
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE		A1DLR0.7
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.75
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.79
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.76
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE		G2FJV0.71
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE		B2FJX0.71
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A3FQ00.78
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A,B3E0B0.78
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A2KGK0.78
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A,B3CSE0.78
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A3FQO0.78
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A3BHJ0.75
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A3BHM0.75
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A1WMA0.75
55V6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-
1-yn-1-yl]pyrimidine-2,4-diamine		A,B3FQC0.72
55V6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-
1-yn-1-yl]pyrimidine-2,4-diamine		A3FQF0.72
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL70.75
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.8
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
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.7
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea		A,B3EFW0.73
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLC0.73
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLB0.73
CK53-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YLAMINO]-PHENOL		A1PXM0.72
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQV0.79
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQZ0.79
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2IKO0.7
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2G240.7
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.79
E964-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-
5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-
BENZENE]		A453D0.75
TMQTRIMETREXATEA,B,C,D3CLB0.71
TMQTRIMETREXATEA1BZF0.71
TMQTRIMETREXATEA,B,C,D3HBB0.71
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJB0.78
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GJ50.78
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJC0.78
C1BH2B7D0.71
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.82
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.82
43P4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-
2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE		A1YC40.73
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL		A3EN70.75
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL		A2V4L0.75
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE		A,B2G1Y0.7
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL		A,B2AOU0.71
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.75
S031-{4-[4-AMINO-5-(3-METHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-
4-OL		A,B1YOL0.71
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI00.78
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GI80.78
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GHW0.78
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI10.78
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI30.78
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHX0.78
185(6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-
2-{[4-(AMINOMETHYL)PHENYL]AMINO}-
5-BROMOPYRIMIDIN-4-YL)METHANOL		A1SUQ0.76
Q22(4aS)-5-[(2,4-diaminopteridin-6-
yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-
8-ol		A3D800.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.74
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.74
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3K0.72
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3J0.72
N1HH2F9B0.72
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.77
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.75
65B4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-
4-YL}OXY)-3,5-DIMETHYLBENZONITRILE		A1SV50.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.74
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL		X2A0C0.72
9772-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-
4-OL		A1RSI0.82
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE		A,B2QJR0.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O390.75
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3D0.75
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3C0.75
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3A0.75
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3B0.75
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHQ0.78
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI90.72
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GI50.72
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI40.78
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI20.78