Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01092043

Ligand	Ligand name	Chain	PDB	Tanimoto
GW3	7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	A,B	1AOE	0.71
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.77
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.81
THA	TACRINE	A,B	2AOW	0.81
THA	TACRINE	A,B,C,D,E,F	1MX1	0.81
THA	TACRINE	A,B	2AOX	0.81
THA	TACRINE	A	1ACJ	0.81
TPB	4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE	A	1S6Q	0.72
HYZ	N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine	A	2RGP	0.73
JI3	N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE	A,B	3B3O	0.72
JI3	N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE	A,B	3DQS	0.72
VGG	1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	A	2WEI	0.72
AP6	2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE	A,B	1DMK	0.71
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.76
1AU	1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea	A	3F3T	0.74
MM0	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine	B	2JWQ	0.75
255	N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide	A,B	2R9S	0.72
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.72
2MI	2-METHYL-1H-INDOLE	A	2PIO	0.72
9CA	9H-CARBAZOLE	A,B,C,D,E,F	2DE7	0.7
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	1D30	0.73
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	432D	0.73
POX	4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime	A	3BEL	0.7
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.7
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.73
TQ5	5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE	A,B	1IA3	0.75
NPZ	1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	A	3ENE	0.72
2PT	1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-DIMETHYLTHIOUREA-PLATINUM(II)-ETHANE-1,2-DIAMINE	B	1XRW	0.75
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.75
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.75
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.71
26D	PYRIDINE-2,6-DIAMINE	A	2ANZ	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.71
NCL	3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine	A,B	3ET8	0.7
5CP	[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile	A,B	3BHH	0.74
PRM	3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM	A,B	1N5R	0.75
QPP	N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE	A,C	2JC6	0.85
6IG	6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE	A,B	2G22	0.73
TAQ	2,4,6-TRIAMINOQUINAZOLINE	A,B,C,D,E,F,G,H	1W0C	0.81
ZAT	4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)	A	2W0J	0.72
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
JI7	N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine	A,B	3B3P	0.72
JI7	N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine	A,B	3DQT	0.72
RBS	N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE	A,B	2HWO	0.77
CL3	N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE	A	1Y2G	0.7
DCU		A,B	1J07	0.74
LIY	6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE	A,B	2IKU	0.74
TQ4	5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE	A,B	1IA2	0.76
6NP	6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE	A	1YQJ	0.72
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.72
SR2	(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide	A,B	2QQ7	0.71
SR2	(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide	A,B	2QLQ	0.71
IP6	N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE	A	2OHT	0.72
LUM	LUMICHROME	A	2CC6	0.7
LUM	LUMICHROME	A,B	1S4M	0.7
LUM	LUMICHROME	A	2CC7	0.7
LUM	LUMICHROME	A	1HE5	0.7
DRG	5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE	A	1P4F	0.75
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.7
CP7	6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE	A	2BLC	0.75
CP7	6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE	A	2BLB	0.75
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.77
NCK	3,6-Bis[3-(4-methylpiperidino)propionamido]acridine	A,B	3ES0	0.7
LIH	6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	A	1KMS	0.75
NSC	N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA	A,B	1PWP	0.8
TQ3	5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE	A,B	1IA1	0.76
PYN	3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE	A,B	1L1H	0.7
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.73
HUX	3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE	A	1E66	0.73
NCJ	3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine	A,B	3ERU	0.7
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.78
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.78
DEQ	DEQUALINIUM	A	1OYD	0.78
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.78
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.78
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.78
IHH	[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile	A,B,C,D	3F6X	0.81
GVD	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE	A	2UV2	0.79
GVD	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE	A,B	3GGF	0.79
GVD	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE	A,B	2VN9	0.79
PMD	[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE	A	1KLK	0.71
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.71
UI2	8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE	A	1SQO	0.71
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3B3N	0.73
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3DQR	0.73
DX2	6-phenylpteridine-2,4,7-triamine	A,B,C,D	3BME	0.75
K10	1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE	L	2PIP	0.7
UNN	(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE	A,B,C	5STD	0.76
D23	6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE	A	2B53	0.8
23M	2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE	A	2G5N	0.74
D94	3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine	A	3D94	0.71
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.75
MI2	2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE	A	2G8T	0.73
IDZ	3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE	A	2C3L	0.73
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.77
KS5	1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	B	3EN6	0.75
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.7
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.78
DJK	N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE	A	2J5F	0.72
DJK	N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE	A,B	2HWP	0.72
1AW	1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea	A,B	3F3U	0.72
PRL	PROFLAVIN	H,I	1BCU	0.81
PRL	PROFLAVIN	A,B,D,E	1QVT	0.81
PRL	PROFLAVIN	A,B	2KD4	0.81
PRL	PROFLAVIN	A	1QVU	0.81
RKA	N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE	A	2GYX	0.71
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	2ZD1	0.72
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A	2ZE2	0.72
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	3BGR	0.72
AYM	3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE	A,B	1LXC	0.71
2FR	3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide	A	3DBC	0.73
855	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine	A	3HMM	0.75
CLZ	5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE	A,B	1M78	0.74
2IG	6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE	A,B	2G1O	0.7
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.9
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.74
NCQ	3,6-Bis[3-(azepan-1-yl)propionamido]acridine	A,B	3EUM	0.7
PP1	1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE	A	2IVV	0.72
PP1	1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE	A	1QCF	0.72
7IG	5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE	A	2IKO	0.75
7IG	5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE	A	2G24	0.75
EZV	4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline	A,C,D	3F5X	0.7
EZV	4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline	A	3EZV	0.7
L1B	7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM	A,B	2G21	0.72
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.73
5MS	N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide	A	3EXO	0.74
PD5	1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea	A	3EL8	0.71
OA4	5-methyl-6-phenylquinazoline-2,4-diamine	A	2W6P	0.81
7IP	6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHQ	0.7
22M	2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE	A	2G5V	0.73
QIG	N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine	A	3GXL	0.76