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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00557163

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.73
THATACRINEA,B2AOW0.81
THATACRINEA,B,C,D,E,F1MX10.81
THATACRINEA,B2AOX0.81
THATACRINEA1ACJ0.81
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.73
DEQDEQUALINIUMA,B,D,E1JT60.76
DEQDEQUALINIUMA,B,D,E3BR20.76
DEQDEQUALINIUMA1OYD0.76
DEQDEQUALINIUMA,B,D,E3BT90.76
DEQDEQUALINIUMA,B,D,E3BTJ0.76
DEQDEQUALINIUMA,B,D,E3BR10.76
LL13-pyridin-4-yl-1H-indazoleA3DNE0.7
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.73
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.73
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.73
D943-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-
1-(2-phenylquinolin-7-yl)imidazo[1,5-
a]pyrazin-8-amine
A3D940.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.74
335[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-
YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-
2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID
A1Q6J0.7
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.75
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.72
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.7
2146-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-
1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-
2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-
8-YLPHOSPHONIC ACID
A,B1Q6S0.73
PHN1,10-PHENANTHROLINEA1LIH0.78
PHN1,10-PHENANTHROLINEA2LIG0.78
PHN1,10-PHENANTHROLINEA,B2FU70.78
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.75
DCUA,B1J070.74
2MI2-METHYL-1H-INDOLEA2PIO0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.7
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.75
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.74
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.72
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
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.79
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.73
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.74
TZ53,8-DIAMINO-6-PHENYL-5-[6-[1-[2-
[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-
1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM
A,B1Q830.7
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.7
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.72
PRLPROFLAVINH,I1BCU0.8
PRLPROFLAVINA,B,D,E1QVT0.8
PRLPROFLAVINA,B2KD40.8
PRLPROFLAVINA1QVU0.8
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.73
ISQISOQUINOLINEA1GDK0.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.72
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
2AQQUINOLIN-2-AMINEA2OHL0.76
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.7
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I5A0.72
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE
A,B2NLM0.72
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.73
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE
A2B0K0.73
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.7
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.74
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.75
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.77
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.72
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.73
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.72