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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006722

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.78
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.71
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.83
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.75
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.75
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.75
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.75
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.75
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE		A1VZK0.71
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium		A2RD60.72
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2G0.74
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2F0.74
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEH,I,L1C1W0.74
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.77
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.77
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE		A1OIQ0.75
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide		A,B,C,D,E3FAA0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.79
7AC7-(aminomethyl)-6-(2-chlorophenyl)-
1-methyl-1H-benzimidazole-5-carbonitrile		A,B,C,D3CCC0.72
K254,5,6,7-TETRABROMO-N,N-DIMETHYL-
1H-BENZIMIDAZOL-2-AMINE		A1ZOE0.75
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine		A3CGF0.74
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE		A2W060.71
2AP2-AMINOPYRIDINEA1AEO0.73
OLOOLOMOUCINEA4ERK0.72
OLOOLOMOUCINEC1W0X0.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE		A2PVM0.76
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid		A,B,C,D3GNC0.78
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O340.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O310.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O330.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O320.72
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.79
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine		A2R3G0.73
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine		A,B2VGO0.77
BAZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINCA1XUF0.72
TRM1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDA1FQ40.81
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.74
GVK6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-
4-YL]PHENYL}-9H-PURINE		A2UW00.71
RBUA,B1BEX0.72
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.83
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		A1G2M0.77
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		B,C1G320.77
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		A1G360.77
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE		A1BL60.72
9DA9-DEAZAADENINEA1L1R0.86
9DA9-DEAZAADENINEA1L1Q0.86
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE		A1BL70.73
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE		A3ERK0.73
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.8
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		B447D0.75
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		B1QV80.75
K174,5,6,7-TETRABROMO-BENZIMIDAZOLEA,B2OXY0.79
1722-AMINO-5-HYDROXY-BENZIMIDAZOLEA1FV90.75
3AP3-AMINOPYRIDINEA1AEF0.73
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide		A3CGO0.71
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		B311D0.78
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE		A2B6A0.74
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.72
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide		A3EXB0.81
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE		B1QV40.73
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.72
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.72
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.72
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.81
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.78
NHV(5R,6R,7S,8R)-6,7,8-trihydroxy-
5-(hydroxymethyl)-2-[(phenylamino)methyl]-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2VOT0.72
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.75
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.75
APJN~2~-1H-benzimidazol-5-yl-N~4~-
(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-
2,4-diamine		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N		3FBV0.75
NE86-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-
8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE		A1Y5V0.7
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID		A,B2BDF0.72
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.78
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine		A3CQU0.7
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine		A2R3H0.76
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.87
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.78
5MB5-METHYLBENZIMIDAZOLEA1JHM0.91
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE		A1O350.71
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol		A3F2N0.7
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.85
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.85
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.85
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.85
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.85
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.85
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.85
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.85
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.85
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.85
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.73
FR0N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-
2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE		A1NDV0.75
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.73
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE		A1OIT0.73
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.91
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.79
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.81
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM		A2GTM0.73
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.76
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		H,I1C1U0.8
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1R0.8
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1P0.8
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1Q0.8
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.71
3446-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-
G]QUINAZOLIN-8-ONE		A2BBF0.72
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE		A1G5S0.74
VGF1-(3,4-DICHLOROBENZYL)-7-PHENYL-
1H-BENZIMIDAZOL-2-AMINE		A,B,C,D2WD80.7
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine		A,G3FSI0.8
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.89
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE		A1BMK0.72
RW14-phenylpyrimidineA,B,C3B9S0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2G0.75
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2H0.75
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2HKC0.75
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI70.77
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		H,I1GHV0.77
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GHZ0.77
IDZ3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLEA2C3L0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.71
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.8
DBN6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-
2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-
2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE		A2B3E0.7
K374,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-
1H-BENZIMIDAZOLE		A1ZOG0.71
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A2IZT0.75
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A2CDZ0.75
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A,B2F570.75
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZYB0.74
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE		A2OJ90.72
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.78
BZIBENZIMIDAZOLEA1RYC1
BZIBENZIMIDAZOLEA1L5F1
BZIBENZIMIDAZOLEA1KXM1
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZM10.72
INDINDOLEA1L4H0.71
INDINDOLEA,B,G1O7N0.71
INDINDOLEA185L0.71
INDINDOLEA,B1EG90.71
INDINDOLEA,B1UUV0.71
INDINDOLEA,C,E2B240.71
INDINDOLEA,B,C,D,E,F2P850.71
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2J6M0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2JIU0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2ITT0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2ITP0.72