Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00422730

Ligand	Ligand name	Chain	PDB	Tanimoto
NA3	(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID	A	1RE1	0.75
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.7
IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide	A	3DKO	0.83
DZF	5-DEAZAFOLIC ACID	A,B	2DHF	0.71
DZF	5-DEAZAFOLIC ACID	A,B	1DYH	0.71
DZF	5-DEAZAFOLIC ACID	A,B,C,D	1CDE	0.71
P5C	2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide	A	3FQE	0.74
SBS	(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE	A	1IF8	0.73
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE	A,B	1FN2	0.79
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE	A,B	1FN1	0.79
P4O	2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE	A	2JBO	0.77
P4O	2-(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	2JBP	0.77
DA7	5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE	A	1DL8	0.77
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.8
J60	5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE	A,B	2JAM	0.72
DA5	5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE	A,B	367D	0.72
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A,B,C,D	2HYY	0.74
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A,B	1IEP	0.74
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A,B	1OPJ	0.74
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A	1T46	0.74
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A	3GVU	0.74
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A	2OIQ	0.74
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A	3FW1	0.74
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A	2PL0	0.74
STI	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	A	1XBB	0.74
H7J	N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE	A,B,C	2HXZ	0.73
H7J	N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE	A,B	2H7J	0.73
CDD	2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE	B,C	1MUE	0.73
DMY	DISTAMYCIN A	A	217D	0.7
DMY	DISTAMYCIN A	A	1K2Z	0.7
DMY	DISTAMYCIN A	A,B,E,F	2JT7	0.7
DMY	DISTAMYCIN A	A,B	267D	0.7
DMY	DISTAMYCIN A	A	306D	0.7
DMY	DISTAMYCIN A	A	304D	0.7
DMY	DISTAMYCIN A	A	305D	0.7
DMY	DISTAMYCIN A	A	1JUX	0.7
DMY	DISTAMYCIN A	A	2DND	0.7
DMY	DISTAMYCIN A	A,B,C,D	378D	0.7
DMY	DISTAMYCIN A	B	1JTL	0.7
DMY	DISTAMYCIN A	A	159D	0.7
DMY	DISTAMYCIN A	A	216D	0.7
AT6	N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE	A,B	3E68	0.75
SN6	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM	A,B	144D	0.77
553	(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one	A,B	3DU8	0.75
3AP	3-AMINOPYRIDINE	A	1AEF	0.7
311	(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone	A,B,D,E	3CH6	0.75
BI8	3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	A,B	2VD5	0.72
BI8	3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	A	1UVR	0.72
PRC	N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE	A,B	1FPU	0.77
FXV	METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE	A	1KSN	0.73
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.81
NIO	NICOTINIC ACID	A	1JHQ	0.73
NIO	NICOTINIC ACID	A	1L5L	0.73
NIO	NICOTINIC ACID	A	2F7F	0.73
NIO	NICOTINIC ACID	A	1L5K	0.73
NIO	NICOTINIC ACID	A	1JHY	0.73
NIO	NICOTINIC ACID	A,B	1FSL	0.73
NIO	NICOTINIC ACID	A	1L5M	0.73
NIO	NICOTINIC ACID	A	1LH6	0.73
NIO	NICOTINIC ACID	A	1JHO	0.73
NIO	NICOTINIC ACID	A	3CI8	0.73
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.73
NIO	NICOTINIC ACID	A,B,C,D,E,F,G,H	3HRD	0.73
NIO	NICOTINIC ACID	A	1JHA	0.73
NIO	NICOTINIC ACID	A	1JHV	0.73
NIO	NICOTINIC ACID	A	1L4N	0.73
NIO	NICOTINIC ACID	A	2LH6	0.73
NIO	NICOTINIC ACID	A	1D0V	0.73
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.73
NIO	NICOTINIC ACID	A,B	1ICR	0.73
NIO	NICOTINIC ACID	A	1JHR	0.73
PPX	[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE	E,H	1QBV	0.79
RRS	N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE	A	1MMQ	0.71
162	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1NZQ	0.75
I19	N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine	A	2W17	0.73
163	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1O0D	0.73
LA1	(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE	A,B	1XUO	0.72
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE	A	2V0D	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.75
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.75
NCA	NICOTINAMIDE	A,B	2E5D	0.86
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.86
NCA	NICOTINAMIDE	A,B	1DMA	0.86
NCA	NICOTINAMIDE	A,B	1ISM	0.86
NCA	NICOTINAMIDE	A,B	1YC5	0.86
NCA	NICOTINAMIDE	A	2ZB7	0.86
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.86
NCA	NICOTINAMIDE	A,B	2QQG	0.86
NCA	NICOTINAMIDE	A	2OTV	0.86
NCA	NICOTINAMIDE	A	2QHF	0.86
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.86
NCA	NICOTINAMIDE	A,B	2HJH	0.86
NCA	NICOTINAMIDE	A	2A15	0.86
NCA	NICOTINAMIDE	A	2R6V	0.86
NCA	NICOTINAMIDE	A,B	1ISI	0.86
NCA	NICOTINAMIDE	A,D,E	2R9J	0.86
NCA	NICOTINAMIDE	A	2H4J	0.86
NCA	NICOTINAMIDE	A,B	2OD9	0.86
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.86
NCA	NICOTINAMIDE	A,B	3DZG	0.86
NCA	NICOTINAMIDE	A	1OJU	0.86
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.7
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.73
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.8
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.8
IIE	1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE	B	2BQW	0.72
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.76
GEQ	5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE	A,B,C,D,E,F	1P44	0.74
7AD	9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE	A,B	1RQY	0.79
C92	N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide	A,B	3CPB	0.78
BO2	N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE	2,H,K,N,V,Y	2F16	0.81
CNQ	3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE	A,B,C,D	1WOK	0.75
PB4	N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE	A,B	1XUD	0.73
8ST	N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide	A	3HNG	0.8
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.8
NIL	Nilotinib	A,B,C,D	3CS9	0.7
NIL	Nilotinib	A	3GP0	0.7
MYT	METYRAPONE	A	1PHG	0.79
MYT	METYRAPONE	A	1W0G	0.79
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.82
2AZ	N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE	A,B,D,E	2GM1	0.7
CDO	2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID	H	2ANM	0.75
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.79
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.79
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.79
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.79
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.79
NTM	QUINOLINIC ACID	A	3C2O	0.71
NTM	QUINOLINIC ACID	A,B	1QAP	0.71
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.71
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.71
OPN	{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACETYL]-AMINO}-ACETIC ACID	A,B,C,D	1HZS	0.7
B49	N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	A,B	3G0F	0.75
B49	N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	A	3G0E	0.75
U05	6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE	A	1RTH	0.74
U05	6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE	A	1RT3	0.74
U05	6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE	A	1LW2	0.74
IAV	N-[1H-INDOL-3-YL-ACETYL]VALINE ACID	A,B	1K7F	0.7
LI3	3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE	A	1WBV	0.71
BI5	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE	A	1ZYJ	0.72
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T	1UW6	0.71
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.71
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.71
1PU	1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA	A	1GII	0.7
1PU	1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA	A	1GIH	0.7
NHB	N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE	A,B	1W22	0.7
A2T	N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE	A,B	2IGY	0.75
464	3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE	A	2PE2	0.75
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.71
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.78
RAJ	N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE	X	2OO8	0.7
RAJ	N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE	A	3BE2	0.7
MPY	(3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE	A,B,C,D,E,F	2BMC	0.72
3BA	7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide	A	3BAA	0.73
3BD	7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide	A	3BAB	0.71
C48	N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE	A	1CVZ	0.82
NOW	Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide	A,B,C,D	3HHA	0.72
287	4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide	A	2RG6	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.78
LIQ	N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE	A	2HM1	0.71
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE	A,B	2DW0	0.71
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE	A,B	2ERP	0.71
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE	A,B	2DW1	0.71
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE	A,B,D,E	2E3X	0.71
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE	A,B	1PWU	0.71
LZD	4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide	A	2VTT	0.71
ZAM	3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE	A,B	1LX6	0.75
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K8Z	0.71
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K7E	0.71
PB3	N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE	A,B	1XUC	0.74
14C	2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione	A	3C06	0.71
14C	2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione	A	3C0A	0.71
MPZ	4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE	A	1Y57	0.74
G44	4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE	C,D	2PKS	0.71
MIL	MILRINONE	A,B	1TLM	0.79
SRS	4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-12(19),13(18),15,17-TETRAENE-10-CARBAMOYL)PENTA-METHYLSULFONEDIIMINE	A	1MMR	0.71
T42	MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID	H,I	1AI8	0.72
ZZY	1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE	A	2WD1	0.71
FOL	FOLIC ACID	A	1PJ6	0.7
FOL	FOLIC ACID	A,B	1RD7	0.7
FOL	FOLIC ACID	A,B	1DHF	0.7
FOL	FOLIC ACID	A,B,C,D,E	1QZF	0.7
FOL	FOLIC ACID	A	4CD2	0.7
FOL	FOLIC ACID	A	1RX7	0.7
FOL	FOLIC ACID	A	1RX2	0.7
FOL	FOLIC ACID	A	1RX8	0.7
FOL	FOLIC ACID	A	1RA2	0.7
FOL	FOLIC ACID	A,B	1RE7	0.7
FOL	FOLIC ACID	A	7DFR	0.7
FOL	FOLIC ACID	A	1VIF	0.7
FOL	FOLIC ACID	A,B	1RB2	0.7
FOL	FOLIC ACID	A	1CD2	0.7
FOL	FOLIC ACID	A	2CD2	0.7
FOL	FOLIC ACID	A,B	1DYI	0.7
FOL	FOLIC ACID	A	1DRF	0.7
FOL	FOLIC ACID	A,B,C,D	3BMC	0.7
FOL	FOLIC ACID	A,B	2D0K	0.7
FOL	FOLIC ACID	A	1RA8	0.7
19A	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE	A	2OJG	0.75
279	N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide	A	2RG5	0.77
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.8
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.8
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.8
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.79
LTN	L-TRYPTOPHANAMIDE	A	1MAU	0.72
LTN	L-TRYPTOPHANAMIDE	A,B	2QUI	0.72
CM9	CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE	A	2W09	0.77
BI1	3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	A	1XWS	0.71
BI1	3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	B	2BIK	0.71
BI1	3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	A	1ZRZ	0.71
BI1	3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	B	2BIL	0.71
BI1	3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	A	1UU8	0.71
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	D,H	2OJY	0.73
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	A,D,H	2OIZ	0.73
BDC	BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE	A,B	1K2L	0.76
DKK	N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide	B	3C27	0.74
OQB	4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID	A	1RWW	0.71
XR2	1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM	A	1X95	0.74
SBB	N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE	A	1IF9	0.7
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.79
SU1	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE	A,B	1FGI	0.71
MUH	N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE	A	2OSC	0.71
9AD	9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE	A	465D	0.8
9AD	9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE	A	452D	0.8
DA6	6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE	A	366D	0.74
BI3	3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	A	1UU9	0.7
CDB	2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE	B,C	1MU8	0.74
DBQ	DEBROMOHYMENIALDISINE	A	2C3J	0.75
DBQ	DEBROMOHYMENIALDISINE	A,B	1U4D	0.75
DBQ	DEBROMOHYMENIALDISINE	A	2CN8	0.75
DBQ	DEBROMOHYMENIALDISINE	A	1Z57	0.75
9DG	9-DEAZAGUANINE	A,B,C,D,E	1Q2S	0.7
9DG	9-DEAZAGUANINE	A	1IL4	0.7
9DG	9-DEAZAGUANINE	A,C	1FSG	0.7
9DG	9-DEAZAGUANINE	A,B,C,D	1Q2R	0.7
5Z5	5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE	A	2JAV	0.71
LI9	4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE	A	1YWR	0.72
FXN	5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE	A,B	1SHL	0.71
HM5	3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE	A	2NQ7	0.71
B14	1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE	A,B	3E7T	0.77
NA9	N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE	H,P	2A2X	0.77
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.76
DRC	9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4-ACRIDINECARBOXAMIDE	A	1KCI	0.75
F10	2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE	X	2P3G	0.8
BC3	2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one	A,B,C	3DJF	0.75
BFA	9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE	A,B	1EG6	0.74
N12	N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE	H,P	2ANK	0.76
3MP	3-METHYLPYRIDINE	A	1EUB	0.71
3MP	3-METHYLPYRIDINE	A	1BM6	0.71
4QB	3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID	A	1RWN	0.7
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.75
517	1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA	A	2PE1	0.74
DAX	5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE	A	1M69	0.72
A4C	9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE}	A	2GWA	0.76
A4C	9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE}	A,B	2GB9	0.76
AYM	3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE	A,B	1LXC	0.71
CDA	2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE	B,C	1MU6	0.73
SN7	4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE	A	328D	0.78
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1S1X	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1LWE	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1LW0	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	2HND	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1FKP	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1S1U	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1LWF	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	2HNY	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1VRT	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1LWC	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1JLB	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	3HVT	0.77
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	A	1JLF	0.77
5BN	5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE	A	1P2A	0.71
A1T	5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE	A	2IGX	0.76
LZA	{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide	A	2VTQ	0.71
34Q	(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine	A	2RIP	0.77
PB5	N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE	A,B	1XUR	0.78
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.74
PY3	5-[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,L	1Z6J	0.74
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.84
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.84
9HX	9-DEAZAHYPOXANTHINE	A,B,C	1I80	0.73
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B,C,D	3BWL	0.73
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B	2OU3	0.73
QYT	(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE	A	2A5U	0.73
SBR	(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE	A	1IF7	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QSZ	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1TA8	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1HYB	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAA	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA9	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUP	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUS	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1Y1P	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C,D,E,F	2GVG	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA8	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAB	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZK	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C	1GZU	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2H3D	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2G96	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QG6	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1ISJ	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZJ	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2HCT	0.7
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.71
NNR	Nicotinamide riboside	A	2QT0	0.72
NNR	Nicotinamide riboside	A	2QT1	0.72