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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03451436

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MILMILRINONEA,B1TLM0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
DA1PYRIDINE-2,5-DIAMINEA2AQD0.86
ISQISOQUINOLINEA1GDK0.71
2862-ethenyl-1-methylpyridiniumX2RC20.8
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
D4GA,B,C,D2FDY0.74
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.73
4AP4-AMINOPYRIDINEA1AEG0.83
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.72
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.76
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
NCANICOTINAMIDEA,B2E5D0.72
NCANICOTINAMIDEA,B,C,D2Z770.72
NCANICOTINAMIDEA,B1DMA0.72
NCANICOTINAMIDEA,B1ISM0.72
NCANICOTINAMIDEA,B1YC50.72
NCANICOTINAMIDEA2ZB70.72
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.72
NCANICOTINAMIDEA,B2QQG0.72
NCANICOTINAMIDEA2OTV0.72
NCANICOTINAMIDEA2QHF0.72
NCANICOTINAMIDEA,B,C,D2C8A0.72
NCANICOTINAMIDEA,B2HJH0.72
NCANICOTINAMIDEA2A150.72
NCANICOTINAMIDEA2R6V0.72
NCANICOTINAMIDEA,B1ISI0.72
NCANICOTINAMIDEA,D,E2R9J0.72
NCANICOTINAMIDEA2H4J0.72
NCANICOTINAMIDEA,B2OD90.72
NCANICOTINAMIDEA,B,C,D,E1YC20.72
NCANICOTINAMIDEA,B3DZG0.72
NCANICOTINAMIDEA1OJU0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.86
APY2-AMINOMETHYL-PYRIDINEI1IVP0.86
NTNISONICOTINAMIDINEA7ADH0.8
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.75
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
2755-amino-1,2-dimethylpyridiniumX2RBW0.88
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.76
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
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.74
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
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.76
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
PYS2-PYRIDINETHIOLA,B1CTE0.77
PYS2-PYRIDINETHIOLA2IPP0.77
2AP2-AMINOPYRIDINEA1AEO0.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
3AP3-AMINOPYRIDINEA1AEF0.9
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79