Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00120023

Ligand	Ligand name	Chain	PDB	Tanimoto
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE	E	1YDT	0.79
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE	A	3FMD	0.79
NTN	ISONICOTINAMIDINE	A	7ADH	0.79
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.71
OSP	SULTHIAME	A	2Q1Q	0.7
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.84
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.73
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.84
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.81
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.81
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.81
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.78
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.7
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.74
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.73
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.72
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.78
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.82
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.75
NCA	NICOTINAMIDE	A,B	2E5D	0.7
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.7
NCA	NICOTINAMIDE	A,B	1DMA	0.7
NCA	NICOTINAMIDE	A,B	1ISM	0.7
NCA	NICOTINAMIDE	A,B	1YC5	0.7
NCA	NICOTINAMIDE	A	2ZB7	0.7
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.7
NCA	NICOTINAMIDE	A,B	2QQG	0.7
NCA	NICOTINAMIDE	A	2OTV	0.7
NCA	NICOTINAMIDE	A	2QHF	0.7
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.7
NCA	NICOTINAMIDE	A,B	2HJH	0.7
NCA	NICOTINAMIDE	A	2A15	0.7
NCA	NICOTINAMIDE	A	2R6V	0.7
NCA	NICOTINAMIDE	A,B	1ISI	0.7
NCA	NICOTINAMIDE	A,D,E	2R9J	0.7
NCA	NICOTINAMIDE	A	2H4J	0.7
NCA	NICOTINAMIDE	A,B	2OD9	0.7
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.7
NCA	NICOTINAMIDE	A,B	3DZG	0.7
NCA	NICOTINAMIDE	A	1OJU	0.7
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.76
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.76
PHN	1,10-PHENANTHROLINE	A	1LIH	0.7
PHN	1,10-PHENANTHROLINE	A	2LIG	0.7
PHN	1,10-PHENANTHROLINE	A,B	2FU7	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	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.76
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.77
MIL	MILRINONE	A,B	1TLM	0.73
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	1Q8U	0.8
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A,B	3D9V	0.8
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNH	0.8
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNL	0.8
3MP	3-METHYLPYRIDINE	A	1EUB	0.77
3MP	3-METHYLPYRIDINE	A	1BM6	0.77
NHB	N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE	A,B	1W22	0.7
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.72
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
LZ4	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide	A	2VTJ	0.73
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.76
U55	4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE	A	1JSV	0.75
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.7
XMK	1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE	A	1IQM	0.73
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.85
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.85
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.85
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.85
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	0.71
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.77
CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate	A	2W0B	0.81
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.73
ISQ	ISOQUINOLINE	A	1GDK	0.78
3AP	3-AMINOPYRIDINE	A	1AEF	0.71
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.72
255	N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide	A,B	2R9S	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.72
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.72
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.71
I10	1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE	A	1BGO	0.73
CKI	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE	A	2CSN	0.82
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.74
CM6	(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE	A	2CIB	0.7
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.75
PY8	6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE	A	2J9M	0.74
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.71
D4G		A,B,C,D	2FDY	0.81
I11	[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE	H	1UVS	0.7
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.85
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.72
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.72
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.72
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.9
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.78
PYS	2-PYRIDINETHIOL	A	2IPP	0.78
1MS	N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide	A	3E9Y	0.7
P1E	4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide	A	3H3C	0.73
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	B	1C5Y	0.74
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5U	0.74
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5T	0.74
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.76
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.76
4AP	4-AMINOPYRIDINE	A	1AEG	0.73
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	E	2ERZ	0.73
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	A,B	2ETK	0.73
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.71
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.88