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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01236281

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE		A,B1AOE0.71
THATACRINEA,B2AOW0.81
THATACRINEA,B,C,D,E,F1MX10.81
THATACRINEA,B2AOX0.81
THATACRINEA1ACJ0.81
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
26DPYRIDINE-2,6-DIAMINEA2ANZ0.74
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A2BLA0.71
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A2BL90.71
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A,B,C,D1J3J0.71
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide		A3EXO0.71
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.7
IHH[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile		A,B,C,D3F6X0.78
DRG5,6-DIHYDRO-BENZO[H]CINNOLIN-3-
YLAMINE		A1P4F0.72
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE		A,B3B3O0.72
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE		A,B3DQS0.72
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.75
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.71
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.72
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
2MI2-METHYL-1H-INDOLEA2PIO0.72
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.7
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2G0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2H0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2HKC0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.8
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.7
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE		A2UV20.78
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE		A,B3GGF0.78
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE		A,B2VN90.78
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.77
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.76
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.72
QIGN-1H-indazol-5-yl-2-(6-methylpyridin-
2-yl)quinazolin-4-amine		A3GXL0.72
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.75
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE		A1E660.71
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.74
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID		A,B1T1R0.72
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE		A,B1IA30.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.76
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.7
QNC2-CARBONYLQUINOLINEA,B2FGV0.7
QNC2-CARBONYLQUINOLINEI1IVQ0.7
QNC2-CARBONYLQUINOLINEA,B2FGU0.7
QNC2-CARBONYLQUINOLINEA1JLD0.7
QNC2-CARBONYLQUINOLINEA,B1HXB0.7
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLC0.76
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLB0.76
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.72
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol		A,B3B3M0.7
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.7
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.72
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.73
RW14-phenylpyrimidineA,B,C3B9S0.72
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.73
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine		A,B3B3P0.72
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine		A,B3DQT0.72
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA		A,B1PWP0.77
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile		A,B3BHH0.73
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.72
LUMLUMICHROMEA2CC60.7
LUMLUMICHROMEA,B1S4M0.7
LUMLUMICHROMEA2CC70.7
LUMLUMICHROMEA1HE50.7
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.83
2AQQUINOLIN-2-AMINEA2OHL0.94
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.73
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.71
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE		A,B1IA20.74
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE		A,C2JC60.81
PRLPROFLAVINH,I1BCU0.8
PRLPROFLAVINA,B,D,E1QVT0.8
PRLPROFLAVINA,B2KD40.8
PRLPROFLAVINA1QVU0.8
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
DCUA,B1J070.71
ISQISOQUINOLINEA1GDK0.7
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.73
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.75
IDZ3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLEA2C3L0.72
AP62,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINEA,B1DMK0.72
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE		A1KMS0.74
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine		A,B3B3N0.75
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine		A,B3DQR0.75
KS51-(1-methylethyl)-3-quinolin-6-
yl-1H-pyrazolo[3,4-d]pyrimidin-
4-amine		B3EN60.72
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H		1W0C0.84
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.79
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.75
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.75
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE		A2B530.76
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.74
DEQDEQUALINIUMA,B,D,E1JT60.74
DEQDEQUALINIUMA,B,D,E3BR20.74
DEQDEQUALINIUMA1OYD0.74
DEQDEQUALINIUMA,B,D,E3BT90.74
DEQDEQUALINIUMA,B,D,E3BTJ0.74
DEQDEQUALINIUMA,B,D,E3BR10.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A2J5F0.7
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A,B2HWP0.7
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.72