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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00212022

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE
A1WVX0.73
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A2GWA0.73
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A,B2GB90.73
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A2O210.71
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A2O1Y0.71
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A1YSN0.71
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A1YSW0.71
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.71
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one
X3FYJ0.82
DT8N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)-
5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE
A2EI80.75
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.72
SBR(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE
A1IF70.71
DA55-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE
A,B367D0.7
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.73
LS2N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-
8H-[1,3]THIAZOLO[5,4-E]INDOL-8-
YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
A1KE60.7
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.77
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.77
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
A2JBO0.74
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
A,B,C,D,E,F,
G,H,I,K,L
2JBP0.74
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A1DL80.74
K88(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-
TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-
2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE
A,D2WEL0.7
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE
A,B1K2L0.73
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
A,B1UTZ0.71
D92N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE
A2EI60.76
WACN-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-
hexahydroindolo[2,3-a]quinolizin-
12(2H)-yl]propyl}propane-2-sulfonamide
B1S1S0.73
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE
A328D0.73
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.73
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,C2PZY0.73
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE
A1IF90.7
D421-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-
4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-
5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA
A2B520.73
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.78
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.78
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE
A2CEK0.71
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE
A1KCI0.72
3TH2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-
TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-
B]PYRROLE-5-CARBOXAMIDE
A2GM90.72
O163-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-
DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-
6-YL)-5-[(E)-2-PHENYLVINYL]-3H-
TETRAAZOL-2-IUM
A,B,C,D1V400.72
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE
A,B1Q3W0.71
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine
A3CE50.71
SBS(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE
A1IF80.71
CMI1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-
1H-INDOLE-2-CARBOXYLIC ACID 3,5-
DIMETHYL-BENZYLAMIDE
B1LQD0.71
DA66-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE
A366D0.72
DAX5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-
9-AMINOACRIDINE-4-CARBOXAMIDE
A1M690.7
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.78
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.72
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE
A,B1LX60.72
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE
A2HXQ0.72
D93N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE
A2EI70.76