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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02383424

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.76
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.73
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.72
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.74
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone		A,B,D,E3CH60.75
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA		A2PE10.71
NIONICOTINIC ACIDA1JHQ0.75
NIONICOTINIC ACIDA1L5L0.75
NIONICOTINIC ACIDA2F7F0.75
NIONICOTINIC ACIDA1L5K0.75
NIONICOTINIC ACIDA1JHY0.75
NIONICOTINIC ACIDA,B1FSL0.75
NIONICOTINIC ACIDA1L5M0.75
NIONICOTINIC ACIDA1LH60.75
NIONICOTINIC ACIDA1JHO0.75
NIONICOTINIC ACIDA3CI80.75
NIONICOTINIC ACIDA,B,C,D1ICU0.75
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.75
NIONICOTINIC ACIDA1JHA0.75
NIONICOTINIC ACIDA1JHV0.75
NIONICOTINIC ACIDA1L4N0.75
NIONICOTINIC ACIDA2LH60.75
NIONICOTINIC ACIDA1D0V0.75
NIONICOTINIC ACIDA,B,C,D1ICV0.75
NIONICOTINIC ACIDA,B1ICR0.75
NIONICOTINIC ACIDA1JHR0.75
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
BRT5-BROMONICOTINAMIDEA,B1GXZ0.75
ISQISOQUINOLINEA1GDK0.81
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.72
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.78
QNC2-CARBONYLQUINOLINEA,B2FGV0.78
QNC2-CARBONYLQUINOLINEI1IVQ0.78
QNC2-CARBONYLQUINOLINEA,B2FGU0.78
QNC2-CARBONYLQUINOLINEA1JLD0.78
QNC2-CARBONYLQUINOLINEA,B1HXB0.78
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.76
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.76
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.71
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.75
RW14-phenylpyrimidineA,B,C3B9S0.72
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.81
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.74
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.71
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
MYTMETYRAPONEA1PHG0.88
MYTMETYRAPONEA1W0G0.88
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.77
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.72
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.78
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE		A,B,C,D2CKE0.71
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.79
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.74
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C060.76
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C0A0.76
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.78
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.78
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.79
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.83
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE		A2A5U0.7
2862-ethenyl-1-methylpyridiniumX2RC20.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE		A2PE20.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.77
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.77
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE		A2W090.7
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.75
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.7
NCANICOTINAMIDEA,B2E5D0.83
NCANICOTINAMIDEA,B,C,D2Z770.83
NCANICOTINAMIDEA,B1DMA0.83
NCANICOTINAMIDEA,B1ISM0.83
NCANICOTINAMIDEA,B1YC50.83
NCANICOTINAMIDEA2ZB70.83
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.83
NCANICOTINAMIDEA,B2QQG0.83
NCANICOTINAMIDEA2OTV0.83
NCANICOTINAMIDEA2QHF0.83
NCANICOTINAMIDEA,B,C,D2C8A0.83
NCANICOTINAMIDEA,B2HJH0.83
NCANICOTINAMIDEA2A150.83
NCANICOTINAMIDEA2R6V0.83
NCANICOTINAMIDEA,B1ISI0.83
NCANICOTINAMIDEA,D,E2R9J0.83
NCANICOTINAMIDEA2H4J0.83
NCANICOTINAMIDEA,B2OD90.83
NCANICOTINAMIDEA,B,C,D,E1YC20.83
NCANICOTINAMIDEA,B3DZG0.83
NCANICOTINAMIDEA1OJU0.83
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.71
MILMILRINONEA,B1TLM0.76
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.75
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A,B,C,D,E,F,
G,H,I,K,L		2JBP0.71
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.92
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.74
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.74
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.85
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.85
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.7
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.7
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.74
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE		A,B3E680.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.75
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.73
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.8
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.8
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.79
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		1UW60.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.78
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.72
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE		A2BTR0.74
NTNISONICOTINAMIDINEA7ADH0.75
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE		A,B1W220.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.7
EPJEPIBATIDINEA,B,C,D,E2BYQ0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.71
APY2-AMINOMETHYL-PYRIDINEI1IVP0.71
MPZ4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-
N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]PHENYL}BENZAMIDE		A1Y570.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.74
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.78
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.78
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.78
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.78
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.78
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.71