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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02890573

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2862-ethenyl-1-methylpyridiniumX2RC20.82
26DPYRIDINE-2,6-DIAMINEA2ANZ0.74
CDA2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-
PYRIDINYL)METHYL]ACETAMIDE
B,C1MU60.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.76
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
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.89
APY2-AMINOMETHYL-PYRIDINEI1IVP0.89
PHN1,10-PHENANTHROLINEA1LIH0.74
PHN1,10-PHENANTHROLINEA2LIG0.74
PHN1,10-PHENANTHROLINEA,B2FU70.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.83
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
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.91
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.71
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
NTNISONICOTINAMIDINEA7ADH0.83
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.74
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.78
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.81
3AP3-AMINOPYRIDINEA1AEF0.93
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
1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
MILMILRINONEA,B1TLM0.73
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,D2FDY0.77
PYS2-PYRIDINETHIOLA,B1CTE0.79
PYS2-PYRIDINETHIOLA2IPP0.79
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.89
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.79
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.73
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.79
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.7
3MP3-METHYLPYRIDINEA1EUB0.82
3MP3-METHYLPYRIDINEA1BM60.82
4AP4-AMINOPYRIDINEA1AEG0.86
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
2AP2-AMINOPYRIDINEA1AEO0.79
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
9DA9-DEAZAADENINEA1L1R0.71
9DA9-DEAZAADENINEA1L1Q0.71
ISQISOQUINOLINEA1GDK0.74
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.77
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.75
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.72