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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00964267

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.75
ZY4N-[(1S)-1-BENZYL-2,2-DIHYDROXY-
3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-
6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-
CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE		A2WF40.7
STUSTAUROSPORINEA,B3CBL0.72
STUSTAUROSPORINEA1QPJ0.72
STUSTAUROSPORINEA,B3CD30.72
STUSTAUROSPORINEA2ITU0.72
STUSTAUROSPORINEA,B2BUJ0.72
STUSTAUROSPORINEA,B2CLQ0.72
STUSTAUROSPORINEA1XBC0.72
STUSTAUROSPORINEA2ITW0.72
STUSTAUROSPORINEA1E8Z0.72
STUSTAUROSPORINEA1YHS0.72
STUSTAUROSPORINEA,B3D7T0.72
STUSTAUROSPORINEA1QPD0.72
STUSTAUROSPORINEA2Z7R0.72
STUSTAUROSPORINEA,B,C,D2NRY0.72
STUSTAUROSPORINEA1U590.72
STUSTAUROSPORINEA1NVR0.72
STUSTAUROSPORINEA,B,C,D2OIC0.72
STUSTAUROSPORINEA1AQ10.72
STUSTAUROSPORINEA1BYG0.72
STUSTAUROSPORINEA,B1SM20.72
STUSTAUROSPORINEX2DQ70.72
STUSTAUROSPORINEA3CKX0.72
STUSTAUROSPORINEA,B1Q3D0.72
STUSTAUROSPORINEE1STC0.72
STUSTAUROSPORINEA1OKY0.72
STUSTAUROSPORINEA1WVY0.72
STUSTAUROSPORINEA2HW70.72
STUSTAUROSPORINEA,B1SNU0.72
STUSTAUROSPORINEA2ITQ0.72
STUSTAUROSPORINEA,B,C,D1NXK0.72
STUSTAUROSPORINEA3BKB0.72
STUSTAUROSPORINEA1XJD0.72
STUSTAUROSPORINEA3FME0.72
STUSTAUROSPORINEA,B2GCD0.72
STUSTAUROSPORINEA,B,C2PZY0.72
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.72
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A,B,C,D,E,F,
G,H,I,K,L		2JBP0.72
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.71
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE		A,B1L1H0.71
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GII0.74
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GIH0.74
C193-(2-aminoquinazolin-6-yl)-1-(3,3-
dimethylindolin-6-yl)-4-methylpyridin-
2(1H)-one		A,B3CP90.76
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID		A1RWM0.71
L0C4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-
1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-
6-YL]METHYL}MORPHOLIN-4-IUM		A2W1C0.7
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.71
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE		A,B1K2L0.72
DVR3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-
BUTA-1,3-DIENYLAMINO)-INDOLIZINE-
2-CARBOXYLIC ACID		A1GA00.7
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.7
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.74
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.73
GK6N-{4'-[(cyclopropylmethyl)carbamoyl]-
6-methylbiphenyl-3-yl}-2-morpholin-
4-ylpyridine-4-carboxamide		A3D830.81
PB4N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUD0.72
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.72
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.79
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.72
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.7
BFA9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-
DIMETHYLAMINO-ETHYL)-AMIDE		A,B1EG60.71
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A3EYH0.7
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A,B2B7A0.7
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A,B2J900.7
RAJN-{3-[3-(DIMETHYLAMINO)PROPYL]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE		X2OO80.75
RAJN-{3-[3-(DIMETHYLAMINO)PROPYL]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE		A3BE20.75
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.75
2423-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-
N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2OFV0.76
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.73
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA2J0J0.72
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEB2J0M0.72
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B2J0K0.72
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA1YVJ0.72
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B,C2HZ40.72
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.72
4113-bromo-N-[4-[1-(2-carbamimidamido-
2-oxo-ethyl)-5-phenyl-pyrrol-2-
yl]phenyl]benzamide		A2ZE10.7
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.71
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
CMI1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-
1H-INDOLE-2-CARBOXYLIC ACID 3,5-
DIMETHYL-BENZYLAMIDE		B1LQD0.72
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMW0.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1Y0.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMY0.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3CYX0.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNP0.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		B1C6Z0.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNK0.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A1FB70.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMZ0.76
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1X0.76
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B,C,D2HYY0.72
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1IEP0.72
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1OPJ0.72
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1T460.72
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3GVU0.72
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2OIQ0.72
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3FW10.72
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2PL00.72
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1XBB0.72
MUHN-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-
2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A2OSC0.74
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.73
DA66-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE		A366D0.71
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		B2J2I0.71
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		A1UU30.71
XR21-METHYL-9-[12-(9-METHYLPHENAZIN-
10-IUM-1-YL)-12-OXO-2,11-DIAZA-
5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-
10-IUM		A1X950.71
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.7
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.72
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.71
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE		A,B2G1O0.71
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A2GWA0.72
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A,B2GB90.72
P385-methyl-4-[(2-methyl-5-{[(2-morpholin-
4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-
N-(1-phenylethenyl)pyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide		A3BV20.73
P40N-cyclopropyl-4-methyl-3-{2-[(2-
morpholin-4-ylethyl)amino]quinazolin-
6-yl}benzamide		A3DT10.81
SPP(1-(5-METHANSULPHONAMIDO-1H-INDOL-
2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE		A1KLM0.71
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
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.72
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.74
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A2J5F0.71
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A,B2HWP0.71
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.76
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID		A1RWO0.7
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.73
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE		A2PE20.73
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A1DL80.73
057N-(2-hydroxy-1,1-dimethylethyl)-
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-
2-yl)-1H-indole-5-carboxamide		A,B3FQH0.73
C523-(2-aminoquinazolin-6-yl)-4-methyl-
1-[3-(trifluoromethyl)phenyl]pyridin-
2(1H)-one		A,B3CPC0.73
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.76
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CD50.71
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.74
WBT3-FLUORO-5-MORPHOLIN-4-YL-N-[1-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
6-YL]BENZAMIDE		A1WBT0.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.77
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.77
PY35-[AMINO(IMINO)METHYL]-2-[({[6-
[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-
3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-
1(2H)-YL]ACETYL}AMINO)METHYL]-N-
PYRIDIN-4-YLBENZAMIDE		H,L1Z6J0.7
UI16-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-
2-YLAMINO)-2-NAPHTHAMIDE		A1SQA0.74
LI23-FLUORO-5-MORPHOLIN-4-YL-N-[3-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
5-YL]BENZAMIDE		A1WBS0.74
P395-methyl-4-[(2-methyl-5-{[(3-morpholin-
4-ylphenyl)carbonyl]amino}phenyl)amino]-
N-[(1S)-1-phenylethyl]pyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide		A3BV30.71
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.71
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.75
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.7
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.7
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.73
3FR3'-chloro-5'-(3-methyl-6-{[(1S)-
1-phenylethyl]amino}-1H-pyrazolo[4,3-
c]pyridin-1-yl)biphenyl-2-carboxamide		A3DBD0.71
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide		A3D3P0.71
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A3C2N0.72
JNKN-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-
BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE		X2EXC0.76
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.77
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.75
2874-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-
5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide		A2RG60.71
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.7
DZF5-DEAZAFOLIC ACIDA,B2DHF0.72
DZF5-DEAZAFOLIC ACIDA,B1DYH0.72
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.72
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.71
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE		A2HXQ0.7
MTXMETHOTREXATEA,B1DRB0.72
MTXMETHOTREXATEA,B,C,D2C7V0.72
MTXMETHOTREXATEA1U700.72
MTXMETHOTREXATEA,B,C,D1MXF0.72
MTXMETHOTREXATEA2QK80.72
MTXMETHOTREXATEA,B1RB30.72
MTXMETHOTREXATEA,B1DHJ0.72
MTXMETHOTREXATEA3DAU0.72
MTXMETHOTREXATEA1U720.72
MTXMETHOTREXATEA,B2DRC0.72
MTXMETHOTREXATEA,B1D1G0.72
MTXMETHOTREXATEA,B1DDR0.72
MTXMETHOTREXATEA,B1E7W0.72
MTXMETHOTREXATEA1RX30.72
MTXMETHOTREXATEA3DFR0.72
MTXMETHOTREXATEA,B,C,D1P330.72
MTXMETHOTREXATEA3DAT0.72
MTXMETHOTREXATEA,B1DHI0.72
MTXMETHOTREXATEA,B1TDR0.72
MTXMETHOTREXATEA,B1DRA0.72
MTXMETHOTREXATEA3EIG0.72
MTXMETHOTREXATEA3CD20.72
MTXMETHOTREXATEA1AO80.72
MTXMETHOTREXATEA1DF70.72
MTXMETHOTREXATEA1DLS0.72
MTXMETHOTREXATEA1RG70.72
MTXMETHOTREXATEA1RH30.72
MTXMETHOTREXATEA,B4DFR0.72
MTXMETHOTREXATEA1RA30.72
MTXMETHOTREXATEA,B1DDS0.72
MTXMETHOTREXATEA1DRE0.72
MTXMETHOTREXATEA,B1AXW0.72
MTXMETHOTREXATEA3CL90.72
MTXMETHOTREXATEA,B3DRC0.72
MTXMETHOTREXATEA,B,C,D,E2OIP0.72
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
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE		A,B2F1G0.7
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide		A,B2VRX0.71
MPZ4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-
N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]PHENYL}BENZAMIDE		A1Y570.72
24XH,L2EC90.73
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE		A,B3E680.76
138A,B,C,D1JKX0.72
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.77
ZY0N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-
4-ETHYL-8-(2-OXO-2,3-DIHYDRO-1H-
PYRROL-1-YL)QUINOLINE-6-CARBOXAMIDE		A2WF00.73
NILNilotinibA,B,C,D3CS90.71
NILNilotinibA3GP00.71
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide		A3DBC0.73
NAZN~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-
2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-
OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-
2-YL)METHYL]-BETA-ALANINAMIDE		A,B1X260.73
1N8N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[2-(METHYLAMINO)QUINAZOLIN-6-
YL]BENZAMIDE		A,B2OG80.74
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.75
N4DN,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-
d]pyrimidin-4-yl)amino]benzamide		A3CG20.72
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.73
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,B2G1S0.7
IDN(E)-N-METHYL-N-(1-METHYL-1H-INDOL-
3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-
[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE		A,B1MFP0.79
406N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-
4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-
1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A,B2E2B0.72
7MP7-AMINO-1-METHYL-3-(2-METHYL-5-
{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-
2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-
1-IUM		A,B2HIW0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.71
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.76
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.76
BIMBIS-(INDOLE)MALEIMIDE PYRIDINOPHANEA,B2OW30.73
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.72