Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02403008

Ligand	Ligand name	Chain	PDB	Tanimoto
306	3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE	A	2HY0	0.7
SCQ	3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine	A	2R3K	0.72
NPZ	1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	A	3ENE	0.7
IHH	[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile	A,B,C,D	3F6X	0.7
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.72
6SC	3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3R	0.73
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.71
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
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.75
2PT	1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-DIMETHYLTHIOUREA-PLATINUM(II)-ETHANE-1,2-DIAMINE	B	1XRW	0.73
PHN	1,10-PHENANTHROLINE	A	1LIH	0.74
PHN	1,10-PHENANTHROLINE	A	2LIG	0.74
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.74
SM5	(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime	A,B	3D4Q	0.81
QIG	N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine	A	3GXL	0.73
IND	INDOLE	A	1L4H	0.73
IND	INDOLE	A,B,G	1O7N	0.73
IND	INDOLE	A	185L	0.73
IND	INDOLE	A,B	1EG9	0.73
IND	INDOLE	A,B	1UUV	0.73
IND	INDOLE	A,C,E	2B24	0.73
IND	INDOLE	A,B,C,D,E,F	2P85	0.73
MQ0	(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-DIPHENYL-ALLYLIDENE)-AMINE	A,B,C	3STD	0.71
5CP	[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile	A,B	3BHH	0.7
VC3	3-(4-nitrophenyl)-1H-pyrazole	A,B,C,D	2VCZ	0.71
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.73
GVD	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE	A	2UV2	0.7
GVD	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE	A,B	3GGF	0.7
GVD	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE	A,B	2VN9	0.7
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.72
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.76
FYX	4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE	A,B	1V97	0.73
582	5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE	A	2QHN	0.72
LIG	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	P	1JVP	0.91
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.74
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.7
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.76
PRM	3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM	A,B	1N5R	0.73
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.89
422	3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE	A	2HXL	0.72
DCU		A,B	1J07	0.73
FRZ	5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE	A	1TVO	0.74
PP1	1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE	A	2IVV	0.71
PP1	1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE	A	1QCF	0.71
MM0	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine	B	2JWQ	0.7
SB5	4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE	A	1BMK	0.71
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.74
GVG	3-METHYL-4-PHENYL-1H-PYRAZOLE	A	2UW3	0.78
5SC	3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide	A	2R3Q	0.71
QPP	N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE	A,C	2JC6	0.73
LZ1	1H-indazole	A,B	3E6I	0.72
LZ1	1H-indazole	A	2VTA	0.72
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
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.75
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.8
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.71
L15	2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE	A	2UW4	0.77
SCJ	3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3J	0.73
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.71
GW3	7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	A,B	1AOE	0.7
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.75
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.75
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.75
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.75
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.75
2FR	3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide	A	3DBC	0.7
19A	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE	A	2OJG	0.73
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.71
K10	1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE	L	2PIP	0.72
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.74
PPX	[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE	E,H	1QBV	0.7
CT6	(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE	A	2C68	0.73
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.75
ISQ	ISOQUINOLINE	A	1GDK	0.78
5BP	N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine	A,C	3EJ1	0.72
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.72
TZ4	3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM	A,B	1Q84	0.74
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2Z2G	0.7
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2Z2H	0.7
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2HKC	0.7
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.9
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.77
VGG	1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	A	2WEI	0.71
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.75
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.73
KS1	1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	A,B	3EN4	0.71
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.73
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.73
DEQ	DEQUALINIUM	A	1OYD	0.73
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.73
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.73
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.73
D26	PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE	A,B,C,D	2VCX	0.76
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.74
SCF	5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3I	0.73
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
6NP	6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE	A	1YQJ	0.71
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.7
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.7
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.7
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.7
HYZ	N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine	A	2RGP	0.71
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.72
L02	4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE	B,I	1WAY	0.74
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.92
R20	4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE	A	2ADU	0.7
SCZ	3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3N	0.74
TZ5	3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM	A,B	1Q83	0.74
580	3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE	A	1RW8	0.79
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.71
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.71
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
CT8	(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE	A	2C69	0.72
KS5	1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	B	3EN6	0.74
MOJ	(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime	A	3FT8	0.72