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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03231628

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
1UW60.83
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.83
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.83
NCANICOTINAMIDEA,B2E5D0.75
NCANICOTINAMIDEA,B,C,D2Z770.75
NCANICOTINAMIDEA,B1DMA0.75
NCANICOTINAMIDEA,B1ISM0.75
NCANICOTINAMIDEA,B1YC50.75
NCANICOTINAMIDEA2ZB70.75
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.75
NCANICOTINAMIDEA,B2QQG0.75
NCANICOTINAMIDEA2OTV0.75
NCANICOTINAMIDEA2QHF0.75
NCANICOTINAMIDEA,B,C,D2C8A0.75
NCANICOTINAMIDEA,B2HJH0.75
NCANICOTINAMIDEA2A150.75
NCANICOTINAMIDEA2R6V0.75
NCANICOTINAMIDEA,B1ISI0.75
NCANICOTINAMIDEA,D,E2R9J0.75
NCANICOTINAMIDEA2H4J0.75
NCANICOTINAMIDEA,B2OD90.75
NCANICOTINAMIDEA,B,C,D,E1YC20.75
NCANICOTINAMIDEA,B3DZG0.75
NCANICOTINAMIDEA1OJU0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.83
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.83
PY7PYRIDIN-4-YLMETHANOLA2EUR0.77
MILMILRINONEA,B1TLM0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.8
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.8
2755-amino-1,2-dimethylpyridiniumX2RBW0.86
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
D4GA,B,C,D2FDY0.84
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.88
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.88
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.88
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.75
ISQISOQUINOLINEA1GDK0.81
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.82
2823-methoxypyridineX2RBZ0.71
4AP4-AMINOPYRIDINEA1AEG0.83
PYS2-PYRIDINETHIOLA,B1CTE0.88
PYS2-PYRIDINETHIOLA2IPP0.88
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.81
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
MR31-METHYL-1H-PYRROLEX2OU00.75
RW14-phenylpyrimidineA,B,C3B9S0.7
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
3MP3-METHYLPYRIDINEA1EUB0.91
3MP3-METHYLPYRIDINEA1BM60.91
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.73
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.74
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.74
2862-ethenyl-1-methylpyridiniumX2RC20.93
DA1PYRIDINE-2,5-DIAMINEA2AQD0.79
NTNISONICOTINAMIDINEA7ADH0.86
1SQISOQUINOLIN-1-AMINEA2OHK0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.83
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.83
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.83
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.74
2AP2-AMINOPYRIDINEA1AEO0.8
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.83
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.87
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
3AP3-AMINOPYRIDINEA1AEF0.83
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.81
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.88
APY2-AMINOMETHYL-PYRIDINEI1IVP0.88
PYF3-PYRIDINYLCARBINOLA,B1R160.76
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.84
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
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.75