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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00786339

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.73
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.78
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine		A3CFL0.7
ISQISOQUINOLINEA1GDK0.79
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.71
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.71
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE		P1JVP0.74
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.71
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.8
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		1UW60.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.8
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.72
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine		A2R3G0.73
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine		A2R3H0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.76
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.76
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.76
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE		A,B,C,D2CKE0.73
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.75
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM		A1ZE80.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.72
3AP3-AMINOPYRIDINEA1AEF0.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.73
CDD2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-
2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE		B,C1MUE0.72
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.72
2862-ethenyl-1-methylpyridiniumX2RC20.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.78
APY2-AMINOMETHYL-PYRIDINEI1IVP0.78
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.72
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.74
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE		A1VJY0.73
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.78
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.74
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.74
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.74
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.74
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.74
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.79
5IQISOQUINOLIN-5-AMINEA,B2F2T0.78
PHN1,10-PHENANTHROLINEA1LIH0.82
PHN1,10-PHENANTHROLINEA2LIG0.82
PHN1,10-PHENANTHROLINEA,B2FU70.82
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.75
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL		A2CGV0.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.72
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE		A1BL70.71
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE		A3ERK0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.76
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.76
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.72
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZYB0.72
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.74
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.81
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.73
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid		A3F2A0.71
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.7
EPJEPIBATIDINEA,B,C,D,E2BYQ0.72
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.76
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE		A1BMK0.72
RW14-phenylpyrimidineA,B,C3B9S0.76
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.74
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.7
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE		A1BL60.76
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime		A,B3D4Q0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.76
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE		A2A5U0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.78
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.73
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.85
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.7
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.8
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.72
INDINDOLEA1L4H0.76
INDINDOLEA,B,G1O7N0.76
INDINDOLEA185L0.76
INDINDOLEA,B1EG90.76
INDINDOLEA,B1UUV0.76
INDINDOLEA,C,E2B240.76
INDINDOLEA,B,C,D,E,F2P850.76
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72
NTNISONICOTINAMIDINEA7ADH0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2G0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2H0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2HKC0.73