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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03451449

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D4GA,B,C,D2FDY0.73
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.74
PY7PYRIDIN-4-YLMETHANOLA2EUR0.77
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.85
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.85
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.85
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.71
3AP3-AMINOPYRIDINEA1AEF0.72
NCANICOTINAMIDEA,B2E5D0.73
NCANICOTINAMIDEA,B,C,D2Z770.73
NCANICOTINAMIDEA,B1DMA0.73
NCANICOTINAMIDEA,B1ISM0.73
NCANICOTINAMIDEA,B1YC50.73
NCANICOTINAMIDEA2ZB70.73
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.73
NCANICOTINAMIDEA,B2QQG0.73
NCANICOTINAMIDEA2OTV0.73
NCANICOTINAMIDEA2QHF0.73
NCANICOTINAMIDEA,B,C,D2C8A0.73
NCANICOTINAMIDEA,B2HJH0.73
NCANICOTINAMIDEA2A150.73
NCANICOTINAMIDEA2R6V0.73
NCANICOTINAMIDEA,B1ISI0.73
NCANICOTINAMIDEA,D,E2R9J0.73
NCANICOTINAMIDEA2H4J0.73
NCANICOTINAMIDEA,B2OD90.73
NCANICOTINAMIDEA,B,C,D,E1YC20.73
NCANICOTINAMIDEA,B3DZG0.73
NCANICOTINAMIDEA1OJU0.73
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.8
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.76
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE
A,B1JES0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.76
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.77
APY2-AMINOMETHYL-PYRIDINEI1IVP0.77
NTNISONICOTINAMIDINEA7ADH0.82
3MP3-METHYLPYRIDINEA1EUB0.86
3MP3-METHYLPYRIDINEA1BM60.86
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
RW14-phenylpyrimidineA,B,C3B9S0.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.91
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.91
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.91
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.91
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.91
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.91
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.77
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.83
ISQISOQUINOLINEA1GDK0.8
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.74
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.73
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
1UW60.81
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.81
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.81
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.71
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.8
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
4AP4-AMINOPYRIDINEA1AEG0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.75
1SQISOQUINOLIN-1-AMINEA2OHK0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
MILMILRINONEA,B1TLM0.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.74
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.82
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.79
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.81
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
PYF3-PYRIDINYLCARBINOLA,B1R160.76
2862-ethenyl-1-methylpyridiniumX2RC20.78
MYTMETYRAPONEA1PHG0.7
MYTMETYRAPONEA1W0G0.7