Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00112523

Ligand	Ligand name	Chain	PDB	Tanimoto
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.79
ISQ	ISOQUINOLINE	A	1GDK	0.79
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.78
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.73
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.71
XMI	4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE	A	1IQK	0.72
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.73
3MP	3-METHYLPYRIDINE	A	1EUB	0.75
3MP	3-METHYLPYRIDINE	A	1BM6	0.75
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.72
D4G		A,B,C,D	2FDY	0.75
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.89
SBR	(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE	A	1IF7	0.71
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	E	2ERZ	0.76
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	A,B	2ETK	0.76
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.79
CKI	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE	A	2CSN	0.84
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.72
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.76
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.76
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.76
ZEN		T	1J17	0.71
ZEN		A	1QL9	0.71
ZEN		T	1V2K	0.71
ZEN		A	1QL8	0.71
ZEN		A	1QL7	0.71
P1E	4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide	A	3H3C	0.71
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE	E	1YDT	0.83
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE	A	3FMD	0.83
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.7
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.71
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.72
U55	4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE	A	1JSV	0.71
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.91
SKF	1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE	A,B	1HNN	0.7
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.74
255	N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide	A,B	2R9S	0.74
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
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.92
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	0.74
NHB	N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE	A,B	1W22	0.7
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.72
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.76
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.89
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.89
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.89
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.89
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.79
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.7
I5S	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2JDO	0.73
I5S	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2JDT	0.73
I5S	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2C1A	0.73
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.7
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.71
SBB	N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE	A	1IF9	0.7
I10	1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE	A	1BGO	0.75
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	B	1C5Y	0.72
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5U	0.72
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5T	0.72
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.72
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.74
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.74
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.7
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.72
DMZ	4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE	A	1N6B	0.71
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.78
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.72
NTN	ISONICOTINAMIDINE	A	7ADH	0.74
SBS	(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE	A	1IF8	0.71
XMK	1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE	A	1IQM	0.72
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.72
PYS	2-PYRIDINETHIOL	A	2IPP	0.72
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	1Q8U	0.85
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A,B	3D9V	0.85
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNH	0.85
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNL	0.85
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.71
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.71
CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate	A	2W0B	0.82
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.87