Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045177

Ligand	Ligand name	Chain	PDB	Tanimoto
DMZ	4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE	A	1N6B	0.75
928	5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile	A	3EJ2	0.75
PPX	[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE	E,H	1QBV	0.71
580	3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE	A	1RW8	0.75
THA	TACRINE	A,B	2AOW	0.71
THA	TACRINE	A,B,C,D,E,F	1MX1	0.71
THA	TACRINE	A,B	2AOX	0.71
THA	TACRINE	A	1ACJ	0.71
6NI	6-NITROINDAZOLE	A,B	1M8H	0.72
6NI	6-NITROINDAZOLE	A,B	1M9M	0.72
L02	4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE	B,I	1WAY	0.71
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.76
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.75
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.7
VC3	3-(4-nitrophenyl)-1H-pyrazole	A,B,C,D	2VCZ	0.76
IND	INDOLE	A	1L4H	0.75
IND	INDOLE	A,B,G	1O7N	0.75
IND	INDOLE	A	185L	0.75
IND	INDOLE	A,B	1EG9	0.75
IND	INDOLE	A,B	1UUV	0.75
IND	INDOLE	A,C,E	2B24	0.75
IND	INDOLE	A,B,C,D,E,F	2P85	0.75
7I2	7-NITROINDAZOLE-2-CARBOXAMIDINE	A,B	1FOJ	0.73
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.72
6SC	3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3R	0.74
PRL	PROFLAVIN	H,I	1BCU	0.7
PRL	PROFLAVIN	A,B,D,E	1QVT	0.7
PRL	PROFLAVIN	A,B	2KD4	0.7
PRL	PROFLAVIN	A	1QVU	0.7
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.72
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.71
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.73
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.81
SCJ	3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3J	0.74
ZZA	1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID	A,B,D	2VCW	0.78
LZ1	1H-indazole	A,B	3E6I	0.77
LZ1	1H-indazole	A	2VTA	0.77
2SC	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol	A	2R3O	0.7
3MP	3-METHYLPYRIDINE	A	1EUB	0.72
3MP	3-METHYLPYRIDINE	A	1BM6	0.72
CEL	4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE	A	1OQ5	0.72
P04	19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one	A	3BE9	0.7
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.72
L15	2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE	A	2UW4	0.77
UN3	(2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID	A	2F6W	0.74
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.71
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.72
LZ5	N-phenyl-1H-pyrazole-3-carboxamide	A	2VTL	0.71
KS5	1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	B	3EN6	0.7
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.75
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.75
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.75
NTN	ISONICOTINAMIDINE	A	7ADH	0.72
ISQ	ISOQUINOLINE	A	1GDK	0.72
5NI	5-NITROINDAZOLE	A,B	1M8I	0.71
5NI	5-NITROINDAZOLE	A,B	1M9Q	0.71
5BP	N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine	A,C	3EJ1	0.72
DZO	3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine	A	3E7V	0.7
LIG	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	P	1JVP	0.8
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.74
R20	4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE	A	2ADU	0.73
P19	N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE	A	2PVH	0.72
SM5	(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime	A,B	3D4Q	0.78
P45	2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE	A	2PVK	0.71
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.79
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.84
D26	PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE	A,B,C,D	2VCX	0.76
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.72
SCF	5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3I	0.75
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.73
5SC	3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide	A	2R3Q	0.7
P55	2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE	A	2PVL	0.7
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	0.78
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.78
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.78
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.71
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.82
P44	2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE	A	2PVJ	0.75
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.7
SCZ	3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3N	0.74
4AP	4-AMINOPYRIDINE	A	1AEG	0.73
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
GVG	3-METHYL-4-PHENYL-1H-PYRAZOLE	A	2UW3	0.79
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.7
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.72