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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01509873

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LIXN-[2-({2-AMINO-6-ETHYL-5-[4-(3-
METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-
3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-
YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-
2-SULFONAMIDE
A,B2IL20.85
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.75
TQ65-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-
2,4-QUINAZOLINEDIAMINE
A,B1IA40.71
IZBN-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-
2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]PHENYL}ETHYL]-4-METHYL-3,4-
DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE
A2CNH0.76
L081-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-
3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE
A,B,C,D1RD40.72
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,C,D,E,F3E8C0.71
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E880.71
N763-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)-BENZENESULFONAMIDE
A,B,C,D1OIU0.72
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE
A,B2G1Y0.81
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
A,B2VRX0.74
AQ4[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-
4-YL]-(3-ETHYNYLPHENYL)AMINE
A1M170.71
4IG(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-
3(4H)-ONE
A,B2G1S0.79
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.72
T95N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-
2-({4-[4-(2-hydroxyethyl)piperazin-
1-yl]phenyl}amino)pyrimidine-5-
carboxamide
A,B3EQP0.71
2276,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]-3,4-DIHYDROISOQUINOLIN-
2(1H)-YL}QUINAZOLINE
A2O8H0.78
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BAC0.74
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BA90.74
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.76
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE
A2OVV0.73
3IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1R0.79
PRDN6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE
A1BOZ0.72
Q4AN-(1-benzylpiperidin-4-yl)-6,7-
dimethoxy-2-(4-methyl-1,4-diazepan-
1-yl)quinazolin-4-amine
A,B3FPD0.73
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A1XP00.7
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A,B3B2R0.7
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A,B1XOT0.7
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A1UHO0.7
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,E,I,L,P3E8E0.7
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E8D0.7
MSQ4-[3-METHYLSULFANYLANILINO]-6,7-
DIMETHOXYQUINAZOLINE
A1DI90.71
HPMN-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-
1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-
4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
A,B2C6E0.71
354N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-
6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-
L-GLUTAMIC ACID
A,B1P4R0.71
PFJ6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-
2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
A2OVY0.74
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL70.78
MR94-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-
4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-
4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2P4I0.71
AQZN-(3-{[7-METHOXY-6-(2-PYRROLIDIN-
1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-
4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
A2BAK0.72
L5G7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-
b]pyridazin-3-yl)methoxy]quinoline
A3CD80.72
4SPA2C6O0.73
4SPA,B,C,D2IW80.73
4SPA,C1H1S0.73
4SPA,B,C,D2IW90.73
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea
A,B3EFW0.72
UA4(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2-METHYL-2H-1,4-
BENZOXAZIN-3(4H)-ONE
A,B2I4Q0.79
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL90.74