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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02686273

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
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.71
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide		A,B,C,D3EUI0.71
LZL7-(2,5-dihydropyrrol-1-yl)-6-phenyl-
pyrido[6,5-d]pyrimidin-2-amine		A,B2V5A0.7
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.71
CKE1-{7-cyclohexyl-6-[4-(4-methylpiperazin-
1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-
2-yl}methanamine		A2R6N0.71
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.71
C523-(2-aminoquinazolin-6-yl)-4-methyl-
1-[3-(trifluoromethyl)phenyl]pyridin-
2(1H)-one		A,B3CPC0.72
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide		A,B2R9S0.72
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE		A2B530.75
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
MQU7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-
7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-
DIAMINE		A,B1M7A0.76
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.72
D943-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-
1-(2-phenylquinolin-7-yl)imidazo[1,5-
a]pyrazin-8-amine		A3D940.74
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H		1W0C0.76
MOJ(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-
3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-
5(6H)-one oxime		A3FT80.76
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL70.71
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.74
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.85
PMD[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-
DIBENZ[B,F]AZEPINE		A1KLK0.73
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.77
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.81
RW14-phenylpyrimidineA,B,C3B9S0.72
POX4-amino-6-{[1-(3-fluorobenzyl)-
1H-indazol-5-yl]amino}pyrimidine-
5-carbaldehyde O-(2-methoxyethyl)oxime		A3BEL0.73
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE		A,B2G1O0.76
TQ65-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-
2,4-QUINAZOLINEDIAMINE		A,B1IA40.82
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.72
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine		A,B2VGO0.7
QIGN-1H-indazol-5-yl-2-(6-methylpyridin-
2-yl)quinazolin-4-amine		A3GXL0.7
TABACETIC ACID N-[2-CHLORO-5-[6-ETHYL-
2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-
[BENZYL-TRIAZEN-3-YL]ETHYL ESTER		A1VJ30.76
AA24-ARYL-2-PHENYLAMINO PYRIMIDINEA1OEC0.77
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.71
1IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE		A,B2G1N0.71
AP62,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINEA,B1DMK0.7
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.71
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.72
DCUA,B1J070.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.73
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.72
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE		A1SQO0.71
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE		A1KMS0.74
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide		A3EXO0.72
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.71
P40N-cyclopropyl-4-methyl-3-{2-[(2-
morpholin-4-ylethyl)amino]quinazolin-
6-yl}benzamide		A3DT10.75
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.71
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.71
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL		A2CGV0.72
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide		A,B2QQ70.72
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide		A,B2QLQ0.72
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.71
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.73
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.72
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A2J5F0.72
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A,B2HWP0.72
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.72
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA		A,B1PWP0.76
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.72
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.76
89I5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-
MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-
4-AMINE		A,B2I6B0.78
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE		A,B1IA20.7
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.83
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.74
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
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2IKO0.73
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2G240.73
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.71
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.76
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE		A,B1IA30.71