Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02224737

Ligand	Ligand name	Chain	PDB	Tanimoto
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-YL)PROPAN-1-OL	A,B	2DV2	0.73
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-YL)PROPAN-1-OL	A,B	2FXJ	0.73
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.72
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.71
SRO	SEROTONIN	A,B	3BRN	0.76
SRO	SEROTONIN	A	2QEH	0.76
TPL	TRYPTOPHANOL	A	1EE7	0.73
PHN	1,10-PHENANTHROLINE	A	1LIH	0.73
PHN	1,10-PHENANTHROLINE	A	2LIG	0.73
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.73
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol	A,B	3EPX	0.76
8CA	9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR2	0.71
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F,G,H	1DDO	0.7
SN6	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM	A,B	144D	0.7
2S8	(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid	B	3C6N	0.71
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.71
3ID	3H-INDOLE-5,6-DIOL	A	1F9B	0.71
3ID	3H-INDOLE-5,6-DIOL	A	1OYO	0.71
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE	A,B,C	1KQG	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE	A,B,C,D,E,F	2VR0	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE	A,B,C,M,N,O,P	1KF6	0.76
ISQ	ISOQUINOLINE	A	1GDK	0.71
PZZ	3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL	A	2QHW	0.74
253	10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine	A	2R7B	0.72
DIT	DITERCALINIUM	A	1D32	0.7
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A	1A53	0.74
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	2RHG	0.74
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1KFB	0.74
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	2RH9	0.74
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1A5B	0.74
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1QOQ	0.74
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.7
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.76
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.76
P13	N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE	B	1UTS	0.7
CQA	4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL	A,B	2AOU	0.78
ELP	(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID	A	1M0P	0.73
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.71
SIE	SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-1H-INDOL-6-YL ESTER	A	2BRP	0.71
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.76
PRM	3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM	A,B	1N5R	0.75
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.72
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.73
IHX	3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol	A,B	3F66	0.78
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.7
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.7
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.7
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.7
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.74
7NH	[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA	H	2FLR	0.73
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RU9	0.7
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUM	0.7
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUL	0.7
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUA	0.7
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.86
DCU		A,B	1J07	0.74
AEJ	(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL	A,B,C,D	1XQC	0.7
LG2	6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID	A,B,C,D	1H9U	0.74
FLD	BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE	A,B	154D	0.72
MM0	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine	B	2JWQ	0.72
232	1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE	A	1C9Z	0.7
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.71
BRF		A	1UUO	0.77
826	1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE	A,B	1I30	0.71
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.71
4PP		C,L	1XKA	0.72
4PP		A,B,C,D	1XKB	0.72
MTK	MONTELUKAST	A	2NNI	0.71
W37	N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE	A,B,C	1O6H	0.76
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.73
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.7
DEH	2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium	A	3GSY	0.77
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.71
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.71
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.72
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.72
DEQ	DEQUALINIUM	A	1OYD	0.72
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.72
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.72
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.72
HRM	7-METHOXY-1-METHYL-9H-BETA-CARBOLINE	A	2Z5X	0.71
HRM	7-METHOXY-1-METHYL-9H-BETA-CARBOLINE	A	2Z5Y	0.71
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.75
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.75
RO0	1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE	A	2FVJ	0.76
D3E	N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide	A,B,C,D	3D3E	0.75
LG1	3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM	A,B,D	1NZM	0.7
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid	A,B	2QYN	0.74
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid	A,B	2QYK	0.74
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid	A	2QYL	0.74
T98	5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE	A,B	1ZUC	0.74
ASE	N-ACETYL SEROTONIN	A	1NAS	0.74
238		A	2PRH	0.73
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.78
FBQ	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL	A	1HBJ	0.75
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.77
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.73
HRP	5-HYDROXY-L-TRYPTOPHAN	B	1YIA	0.7
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.7
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.72
BER	BERBERINE	A	3D6Y	0.73
BER	BERBERINE	A,B,D,E	1JUM	0.73
BER	BERBERINE	A,B,D,E	3BTI	0.73
BER	BERBERINE	A	2QVD	0.73
BMS		A,B	1DKF	0.79