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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03084219

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1Q6S0.7
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.74
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.74
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.73
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE		A,B1ZGC0.79
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.88
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.77
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.86
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.76
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.76
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE		A,B1K2L0.72
ISQISOQUINOLINEA1GDK0.71
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA		A,B1PWP0.84
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.71
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide		A,B,C,D3EUI0.79
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.79
LL13-pyridin-4-yl-1H-indazoleA3DNE0.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2IKO0.76
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2G240.76
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.7
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.88
2MI2-METHYL-1H-INDOLEA2PIO0.77
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.76
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.72
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE		A,B,C3STD0.76
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.79
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE		A,C2JC60.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.73
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE		A,B1L1H0.79
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.73
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.74
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H		1W0C0.76
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.77
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.77
DCUA,B1J070.85
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.75
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.76
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.73
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.79
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.76
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A1DL80.74
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.77
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.74
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.71
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.71
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE		A1E660.81
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.71
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.88
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A2GWA0.72
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A,B2GB90.72
B9AMACROCYCLIC-BIS-9-AMINO-ACRIDINEA,B1FD50.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
PRLPROFLAVINH,I1BCU0.91
PRLPROFLAVINA,B,D,E1QVT0.91
PRLPROFLAVINA,B2KD40.91
PRLPROFLAVINA1QVU0.91
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE		A,B1IA20.71
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.76
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.77
BRFA1UUO0.72
TZ43,8-DIAMINO-6-PHENYL-5-[6-[1-[2-
[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-
1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM		A,B1Q840.73
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.71
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.7
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.72
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.73
DEQDEQUALINIUMA,B,D,E1JT60.86
DEQDEQUALINIUMA,B,D,E3BR20.86
DEQDEQUALINIUMA1OYD0.86
DEQDEQUALINIUMA,B,D,E3BT90.86
DEQDEQUALINIUMA,B,D,E3BTJ0.86
DEQDEQUALINIUMA,B,D,E3BR10.86
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.88
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.72
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE		A1SQO0.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.75
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.8
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE		A2CEK0.81
2AQQUINOLIN-2-AMINEA2OHL0.81
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.92
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.81
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.73
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE		A2B530.8
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE		A1ZGB0.79
THATACRINEA,B2AOW0.91
THATACRINEA,B,C,D,E,F1MX10.91
THATACRINEA,B2AOX0.91
THATACRINEA1ACJ0.91
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.75
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.88
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM		A,B,D1NZM0.84
QNC2-CARBONYLQUINOLINEA,B1MTB0.71
QNC2-CARBONYLQUINOLINEA,B2FGV0.71
QNC2-CARBONYLQUINOLINEI1IVQ0.71
QNC2-CARBONYLQUINOLINEA,B2FGU0.71
QNC2-CARBONYLQUINOLINEA1JLD0.71
QNC2-CARBONYLQUINOLINEA,B1HXB0.71
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE		A1RW80.71
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,B1Q830.73
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.79
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.79
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.75
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.75
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.9
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.79
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE		A1KMS0.72
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.76
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.77
MOJ(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-
3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-
5(6H)-one oxime		A3FT80.72
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE		A,B1IA30.71
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine		A3CE50.79
INDINDOLEA1L4H0.71
INDINDOLEA,B,G1O7N0.71
INDINDOLEA185L0.71
INDINDOLEA,B1EG90.71
INDINDOLEA,B1UUV0.71
INDINDOLEA,C,E2B240.71
INDINDOLEA,B,C,D,E,F2P850.71