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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03073639

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.71
PY7PYRIDIN-4-YLMETHANOLA2EUR0.77
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.71
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.81
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE		A2BTR0.71
NIONICOTINIC ACIDA1JHQ0.74
NIONICOTINIC ACIDA1L5L0.74
NIONICOTINIC ACIDA2F7F0.74
NIONICOTINIC ACIDA1L5K0.74
NIONICOTINIC ACIDA1JHY0.74
NIONICOTINIC ACIDA,B1FSL0.74
NIONICOTINIC ACIDA1L5M0.74
NIONICOTINIC ACIDA1LH60.74
NIONICOTINIC ACIDA1JHO0.74
NIONICOTINIC ACIDA3CI80.74
NIONICOTINIC ACIDA,B,C,D1ICU0.74
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.74
NIONICOTINIC ACIDA1JHA0.74
NIONICOTINIC ACIDA1JHV0.74
NIONICOTINIC ACIDA1L4N0.74
NIONICOTINIC ACIDA2LH60.74
NIONICOTINIC ACIDA1D0V0.74
NIONICOTINIC ACIDA,B,C,D1ICV0.74
NIONICOTINIC ACIDA,B1ICR0.74
NIONICOTINIC ACIDA1JHR0.74
ISQISOQUINOLINEA1GDK0.71
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.72
4PPC,L1XKA0.71
4PPA,B,C,D1XKB0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7S0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7M0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B,C,D3E7G0.75
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.79
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.7
PYF3-PYRIDINYLCARBINOLA,B1R160.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.7
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.76
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.76
D4GA,B,C,D2FDY0.72
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.72
MILMILRINONEA,B1TLM0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.73
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.74
MYTMETYRAPONEA1PHG0.74
MYTMETYRAPONEA1W0G0.74
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.7
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
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.71
2862-ethenyl-1-methylpyridiniumX2RC20.73
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.82
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.71
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.7
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.86
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.71
NCANICOTINAMIDEA,B2E5D0.71
NCANICOTINAMIDEA,B,C,D2Z770.71
NCANICOTINAMIDEA,B1DMA0.71
NCANICOTINAMIDEA,B1ISM0.71
NCANICOTINAMIDEA,B1YC50.71
NCANICOTINAMIDEA2ZB70.71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.71
NCANICOTINAMIDEA,B2QQG0.71
NCANICOTINAMIDEA2OTV0.71
NCANICOTINAMIDEA2QHF0.71
NCANICOTINAMIDEA,B,C,D2C8A0.71
NCANICOTINAMIDEA,B2HJH0.71
NCANICOTINAMIDEA2A150.71
NCANICOTINAMIDEA2R6V0.71
NCANICOTINAMIDEA,B1ISI0.71
NCANICOTINAMIDEA,D,E2R9J0.71
NCANICOTINAMIDEA2H4J0.71
NCANICOTINAMIDEA,B2OD90.71
NCANICOTINAMIDEA,B,C,D,E1YC20.71
NCANICOTINAMIDEA,B3DZG0.71
NCANICOTINAMIDEA1OJU0.71
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.71
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.73
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.73
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.73
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.77
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.8
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid		A,B3CJ00.7
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		1UW60.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.77
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.74
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.74
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.79
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.79
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.79
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.76
NTNISONICOTINAMIDINEA7ADH0.73
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.74