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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02306382

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.89
3MP3-METHYLPYRIDINEA1BM60.89
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.79
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.78
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.89
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.76
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.76
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.71
2862-ethenyl-1-methylpyridiniumX2RC20.83
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.79
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.82
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.82
2AP2-AMINOPYRIDINEA1AEO0.73
MILMILRINONEA,B1TLM0.78
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.73
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.72
ISQISOQUINOLINEA1GDK0.81
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.79
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.81
D4GA,B,C,D2FDY0.78
RW14-phenylpyrimidineA,B,C3B9S0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.73
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.71
NCANICOTINAMIDEA,B2E5D0.77
NCANICOTINAMIDEA,B,C,D2Z770.77
NCANICOTINAMIDEA,B1DMA0.77
NCANICOTINAMIDEA,B1ISM0.77
NCANICOTINAMIDEA,B1YC50.77
NCANICOTINAMIDEA2ZB70.77
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.77
NCANICOTINAMIDEA,B2QQG0.77
NCANICOTINAMIDEA2OTV0.77
NCANICOTINAMIDEA2QHF0.77
NCANICOTINAMIDEA,B,C,D2C8A0.77
NCANICOTINAMIDEA,B2HJH0.77
NCANICOTINAMIDEA2A150.77
NCANICOTINAMIDEA2R6V0.77
NCANICOTINAMIDEA,B1ISI0.77
NCANICOTINAMIDEA,D,E2R9J0.77
NCANICOTINAMIDEA2H4J0.77
NCANICOTINAMIDEA,B2OD90.77
NCANICOTINAMIDEA,B,C,D,E1YC20.77
NCANICOTINAMIDEA,B3DZG0.77
NCANICOTINAMIDEA1OJU0.77
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.76
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
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.73
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.74
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.72
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
A1F400.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.7
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.78
3AP3-AMINOPYRIDINEA1AEF0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.8
APY2-AMINOMETHYL-PYRIDINEI1IVP0.8
NTNISONICOTINAMIDINEA7ADH0.86
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.71
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.8
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.77
MYTMETYRAPONEA1PHG0.75
MYTMETYRAPONEA1W0G0.75
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
1SQISOQUINOLIN-1-AMINEA2OHK0.75
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.78
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
1UW60.85
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.85
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.85
2823-methoxypyridineX2RBZ0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.83
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.81
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.76
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
EPJEPIBATIDINEA,B,C,D,E2BYQ0.72
PY7PYRIDIN-4-YLMETHANOLA2EUR0.83
PYS2-PYRIDINETHIOLA,B1CTE0.78
PYS2-PYRIDINETHIOLA2IPP0.78
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.79
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.74
4AP4-AMINOPYRIDINEA1AEG0.75
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.74
PYF3-PYRIDINYLCARBINOLA,B1R160.81