Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00862743

Ligand	Ligand name	Chain	PDB	Tanimoto
XMI	4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE	A	1IQK	0.72
PRL	PROFLAVIN	H,I	1BCU	0.73
PRL	PROFLAVIN	A,B,D,E	1QVT	0.73
PRL	PROFLAVIN	A,B	2KD4	0.73
PRL	PROFLAVIN	A	1QVU	0.73
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.72
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.7
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
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.73
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.73
XME	4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE	A	1IQG	0.7
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.71
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE	E	1YDT	0.81
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE	A	3FMD	0.81
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.77
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
CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate	A	2W0B	0.75
LIH	6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	A	1KMS	0.71
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.76
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	1Q8U	0.82
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A,B	3D9V	0.82
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNH	0.82
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNL	0.82
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.73
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.72
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.73
N8T	N-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE	A	2CEK	0.73
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.73
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
MM0	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine	B	2JWQ	0.72
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.8
34T	(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline	H	1ETR	0.71
255	N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide	A,B	2R9S	0.79
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.75
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.75
ZEN		T	1J17	0.72
ZEN		A	1QL9	0.72
ZEN		T	1V2K	0.72
ZEN		A	1QL8	0.72
ZEN		A	1QL7	0.72
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.73
XMK	1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE	A	1IQM	0.73
TOT	1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM	A	108D	0.73
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.74
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.88
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.73
CKI	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE	A	2CSN	0.8
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.73
PHN	1,10-PHENANTHROLINE	A	1LIH	0.82
PHN	1,10-PHENANTHROLINE	A	2LIG	0.82
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.82
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.87
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.73
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.71
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.8
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.72
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.81
3B3	(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL	A	2CGV	0.72
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.74
815	THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE	A	1F0R	0.7
855	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine	A	3HMM	0.73
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	E	2ERZ	0.74
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	A,B	2ETK	0.74
THA	TACRINE	A,B	2AOW	0.75
THA	TACRINE	A,B,C,D,E,F	1MX1	0.75
THA	TACRINE	A,B	2AOX	0.75
THA	TACRINE	A	1ACJ	0.75
D4G		A,B,C,D	2FDY	0.71
QYT	(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE	A	2A5U	0.74
SBS	(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE	A	1IF8	0.71
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.75
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.75
DEQ	DEQUALINIUM	A	1OYD	0.75
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.75
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.75
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.75
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.86
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.86
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.86
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.86
NPH	CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE	A	1A18	0.72
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.78
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.76
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	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	0.7
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.7
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.7
ISQ	ISOQUINOLINE	A	1GDK	0.75
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
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.74
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.72
2PT	1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-DIMETHYLTHIOUREA-PLATINUM(II)-ETHANE-1,2-DIAMINE	B	1XRW	0.71
I5S	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2JDO	0.72
I5S	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2JDT	0.72
I5S	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2C1A	0.72
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.72
CM6	(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE	A	2CIB	0.75
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.88