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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00097840

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.74
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.74
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.74
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE
A,B,C5STD0.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.71
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE
A2CEK0.77
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE
A,C2JC60.7
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.83
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.7
QNC2-CARBONYLQUINOLINEA,B1MTB0.73
QNC2-CARBONYLQUINOLINEA,B2FGV0.73
QNC2-CARBONYLQUINOLINEI1IVQ0.73
QNC2-CARBONYLQUINOLINEA,B2FGU0.73
QNC2-CARBONYLQUINOLINEA1JLD0.73
QNC2-CARBONYLQUINOLINEA,B1HXB0.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.77
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL
A,B,C,D,E,F2P6G0.71
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.83
LL13-pyridin-4-yl-1H-indazoleA3DNE0.72
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A1ZGB0.77
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.87
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.7
THATACRINEA,B2AOW0.94
THATACRINEA,B,C,D,E,F1MX10.94
THATACRINEA,B2AOX0.94
THATACRINEA1ACJ0.94
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.86
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.73
PRLPROFLAVINH,I1BCU0.93
PRLPROFLAVINA,B,D,E1QVT0.93
PRLPROFLAVINA,B2KD40.93
PRLPROFLAVINA1QVU0.93
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.72
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.76
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.78
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.78
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.76
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE
A,B1IA30.72
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.71
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.78
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.76
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.74
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.76
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.74
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.73
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.7
2MI2-METHYL-1H-INDOLEA2PIO0.75
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE
A,B2HWO0.7
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.86
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.88
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.7
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE
A2B530.78
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.84
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.76
MGRMALACHITE GREENA,B3BQZ0.71
MGRMALACHITE GREENA1Q8N0.71
MGRMALACHITE GREENA,B3BR00.71
MGRMALACHITE GREENA,D,E3BTL0.71
MGRMALACHITE GREENA,B,D,E3BTC0.71
MGRMALACHITE GREENA,B,D,E1JUP0.71
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A1DL80.73
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.78
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.75
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.75
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide
A,B,C,D3EUI0.78
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.72
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.7
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.78
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.72
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE
A,B2IKU0.71
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.78
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.7
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A,B1ZGC0.77
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.78
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.75
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.82
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.73
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
A,B,D1NZM0.78
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.76
2AQQUINOLIN-2-AMINEA2OHL0.82
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
A,B2G210.7
DEQDEQUALINIUMA,B,D,E1JT60.85
DEQDEQUALINIUMA,B,D,E3BR20.85
DEQDEQUALINIUMA1OYD0.85
DEQDEQUALINIUMA,B,D,E3BT90.85
DEQDEQUALINIUMA,B,D,E3BTJ0.85
DEQDEQUALINIUMA,B,D,E3BR10.85
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE
A,B1IA20.72
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.79
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.75
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.75
PHN1,10-PHENANTHROLINEA1LIH0.76
PHN1,10-PHENANTHROLINEA2LIG0.76
PHN1,10-PHENANTHROLINEA,B2FU70.76
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine
A3CE50.76
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.84
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.75
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.75
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.83
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.74
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.78
ISQISOQUINOLINEA1GDK0.73
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.81
DCUA,B1J070.83
1SQISOQUINOLIN-1-AMINEA2OHK0.7