Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020835

Ligand	Ligand name	Chain	PDB	Tanimoto
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.78
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.73
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.74
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.82
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.83
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.78
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.78
736	(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE	B	2BED	0.72
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.7
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.7
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.79
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.75
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.73
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.78
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	0.79
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.79
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.79
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.7
IND	INDOLE	A	1L4H	0.72
IND	INDOLE	A,B,G	1O7N	0.72
IND	INDOLE	A	185L	0.72
IND	INDOLE	A,B	1EG9	0.72
IND	INDOLE	A,B	1UUV	0.72
IND	INDOLE	A,C,E	2B24	0.72
IND	INDOLE	A,B,C,D,E,F	2P85	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.71
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.74
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.75
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.71
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.71
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.73
D4G		A,B,C,D	2FDY	0.7
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.77
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.71
PYS	2-PYRIDINETHIOL	A	2IPP	0.71
PHN	1,10-PHENANTHROLINE	A	1LIH	0.78
PHN	1,10-PHENANTHROLINE	A	2LIG	0.78
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.78
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.74
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.72
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.81
CNQ	3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE	A,B,C,D	1WOK	0.71
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.74
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.74
XMK	1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE	A	1IQM	0.73
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
HUX	3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE	A	1E66	0.73
NTN	ISONICOTINAMIDINE	A	7ADH	0.77
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.7
DEQ	DEQUALINIUM	A	1OYD	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.7
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.74
CKI	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE	A	2CSN	0.8
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.74
IM4	(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine	A,C,D,E	2ZJU	0.71
IM4	(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine	A,B,C,D	3C79	0.71
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.86
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.74
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	1Q8U	0.7
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A,B	3D9V	0.7
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNH	0.7
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNL	0.7
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.7
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.7
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.7
PRL	PROFLAVIN	H,I	1BCU	0.71
PRL	PROFLAVIN	A,B,D,E	1QVT	0.71
PRL	PROFLAVIN	A,B	2KD4	0.71
PRL	PROFLAVIN	A	1QVU	0.71
THA	TACRINE	A,B	2AOW	0.73
THA	TACRINE	A,B,C,D,E,F	1MX1	0.73
THA	TACRINE	A,B	2AOX	0.73
THA	TACRINE	A	1ACJ	0.73
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.78
3MP	3-METHYLPYRIDINE	A	1EUB	0.81
3MP	3-METHYLPYRIDINE	A	1BM6	0.81
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.73
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.73
ISQ	ISOQUINOLINE	A	1GDK	0.93
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.71
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.7
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.7
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.73
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.77
MYT	METYRAPONE	A	1PHG	0.7
MYT	METYRAPONE	A	1W0G	0.7