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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01179487

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.71
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.78
CCK[1-(6-{6-[(1-methylethyl)amino]-
1H-indazol-1-yl}pyrazin-2-yl)-1H-
pyrrol-3-yl]acetic acid
X3E3B0.71
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.71
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.71
DMYDISTAMYCIN AA217D0.73
DMYDISTAMYCIN AA1K2Z0.73
DMYDISTAMYCIN AA,B,E,F2JT70.73
DMYDISTAMYCIN AA,B267D0.73
DMYDISTAMYCIN AA306D0.73
DMYDISTAMYCIN AA304D0.73
DMYDISTAMYCIN AA305D0.73
DMYDISTAMYCIN AA1JUX0.73
DMYDISTAMYCIN AA2DND0.73
DMYDISTAMYCIN AA,B,C,D378D0.73
DMYDISTAMYCIN AB1JTL0.73
DMYDISTAMYCIN AA159D0.73
DMYDISTAMYCIN AA216D0.73
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
A1UML0.7
1871-{3-[AMINO(IMINO)METHYL]PHENYL}-
N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-
3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-
5-CARBOXAMIDE
C1X7A0.82
2PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-
YL)-UREA
A1GIJ0.72
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI70.73
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H,I1GHV0.73
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GHZ0.73
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide
A3D3P0.71
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.74
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione
A,B2RGU0.73
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
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.76
618(3R,6R,9AR)-2,2-DIMETHYL-6-[(N-
METHYL-L-ALANYL)AMINO]-N-(3-METHYL-
1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-
2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-
A]AZEPINE-3-CARBOXAMIDE
A,B2I3I0.71
APJN~2~-1H-benzimidazol-5-yl-N~4~-
(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-
2,4-diamine
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
3FBV0.7
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline
A,C,D3F5X0.7
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline
A3EZV0.7
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.71
CYEB1PQQ0.76