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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01188573

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B447D0.72
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B1QV80.72
AK31-(5-{2-[(1-methyl-1H-pyrazolo[4,3-
d]pyrimidin-7-yl)amino]ethyl}-1,3-
thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
A3D2I0.75
1IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1N0.77
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.72
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.71
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.71
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.71
165N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-
N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE
H,I1SB10.71
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.7
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.7
6852-{2-[(3,5-dimethylphenyl)amino]pyrimidin-
4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-
4-methyl-1,3-thiazole-5-carboxamide
A3EMG0.71
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.72
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.71
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.73
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE
A1VZK0.72
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.71
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.71
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.71
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.71
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.71
B18(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-
1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-
6-CARBOXAMIDE
A,B,C2PZY0.72
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.71
DBN6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-
2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-
2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE
A2B3E0.72
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI70.72
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H,I1GHV0.72
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GHZ0.72
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.82