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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00386378

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
A3FQV0.72
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
A3FQZ0.72
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3M0.72
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3O0.72
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3N0.72
T2A5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-
f][1,2,4]triazin-2-amine
A,C3EOC0.7
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.8
GP81-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREAA1BJV0.71
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL70.71
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQ00.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3E0B0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A2KGK0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3CSE0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQO0.72
65B4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-
4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
A1SV50.7
3FP(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-
{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
4-YL)AMINO]PHENOXY}PROPAN-2-OL
A1V1K0.71
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.7
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.72
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41VBB0.73
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41PO10.73
JEN3-METHOXY-6-[4-(3-METHYLPHENYL)-
1-PIPERAZINYL]PYRIDAZINE
11R090.8
JEN3-METHOXY-6-[4-(3-METHYLPHENYL)-
1-PIPERAZINYL]PYRIDAZINE
12HWF0.8
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBE0.73
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBA0.73
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBD0.73
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A3FZS0.74
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A1KV20.74
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.7
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0B0.72
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0U0.72
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.73
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41PO20.72
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41VBC0.72
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea
A,B3EFW0.72
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.73
PQA[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
A2BAL0.72