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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01254233

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
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.73
5MB5-METHYLBENZIMIDAZOLEA1JHM0.71
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE		A,B3E680.73
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.73
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine		A,B3B3P0.73
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine		A,B3DQT0.73
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide		A3EXO0.71
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile		A,B3BHH0.72
DX72-amino-4-oxo-6-phenyl-4,7-dihydro-
3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile		A,B,C,D3BMJ0.71
AP62,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINEA,B1DMK0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.72
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.79
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE		A1SQO0.72
DCUA,B1J070.72
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.72
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.74
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE		A,B1IA30.73
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.74
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.72
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.72
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.77
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.77
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.74
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE		A,C2JC60.75
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID		A,B1T1R0.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.76
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.73
26DPYRIDINE-2,6-DIAMINEA2ANZ0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
THATACRINEA,B2AOW0.8
THATACRINEA,B,C,D,E,F1MX10.8
THATACRINEA,B2AOX0.8
THATACRINEA1ACJ0.8
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide		A,B,C,D,E3FAA0.7
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol		A,B3B3M0.7
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.72
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.73
1SQISOQUINOLIN-1-AMINEA2OHK0.79
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H		1W0C0.81
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE		A,B3B3O0.73
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE		A,B3DQS0.73
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.75
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE		A2B530.78
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.72
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE		A1S6Q0.75
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.75
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.83
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
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE		A1KMS0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
IHH[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile		A,B,C,D3F6X0.76
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.78
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.78
2MI2-METHYL-1H-INDOLEA2PIO0.76
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide		A,B2R9S0.71
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.73
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A,B2ZD10.75
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A2ZE20.75
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A,B3BGR0.75
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.78
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
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A2BLA0.72
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A2BL90.72
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A,B,C,D1J3J0.72
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.73
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
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE		A,B1IA20.73
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.72
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.8
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.74
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE		A2UV20.76
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE		A,B3GGF0.76
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE		A,B2VN90.76
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.78
DEQDEQUALINIUMA,B,D,E1JT60.73
DEQDEQUALINIUMA,B,D,E3BR20.73
DEQDEQUALINIUMA1OYD0.73
DEQDEQUALINIUMA,B,D,E3BT90.73
DEQDEQUALINIUMA,B,D,E3BTJ0.73
DEQDEQUALINIUMA,B,D,E3BR10.73
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.73
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.73
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2IKO0.74
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2G240.74
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA		A,B1PWP0.76
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.74
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.7
2AQQUINOLIN-2-AMINEA2OHL0.9
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
PRLPROFLAVINH,I1BCU0.79
PRLPROFLAVINA,B,D,E1QVT0.79
PRLPROFLAVINA,B2KD40.79
PRLPROFLAVINA1QVU0.79
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.74
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.72
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLC0.77
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLB0.77
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.76
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE		A1E660.72
LUMLUMICHROMEA2CC60.71
LUMLUMICHROMEA,B1S4M0.71
LUMLUMICHROMEA2CC70.71
LUMLUMICHROMEA1HE50.71