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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02242985

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
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
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.77
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.73
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.71
2862-ethenyl-1-methylpyridiniumX2RC20.9
PHN1,10-PHENANTHROLINEA1LIH0.74
PHN1,10-PHENANTHROLINEA2LIG0.74
PHN1,10-PHENANTHROLINEA,B2FU70.74
DA1PYRIDINE-2,5-DIAMINEA2AQD0.78
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.7
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.7
2AP2-AMINOPYRIDINEA1AEO0.73
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.71
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.73
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.77
INDINDOLEA1L4H0.72
INDINDOLEA,B,G1O7N0.72
INDINDOLEA185L0.72
INDINDOLEA,B1EG90.72
INDINDOLEA,B1UUV0.72
INDINDOLEA,C,E2B240.72
INDINDOLEA,B,C,D,E,F2P850.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
D4GA,B,C,D2FDY0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.72
RW14-phenylpyrimidineA,B,C3B9S0.72
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
MILMILRINONEA,B1TLM0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE
A,B1V970.7
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.72
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.73
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.79
3MP3-METHYLPYRIDINEA1EUB0.8
3MP3-METHYLPYRIDINEA1BM60.8
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.73
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.87
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.84
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.84
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.73
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.73
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
1UW60.84
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.84
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.84
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.9
APY2-AMINOMETHYL-PYRIDINEI1IVP0.9
4AP4-AMINOPYRIDINEA1AEG0.78
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.73
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.73
NTNISONICOTINAMIDINEA7ADH0.78
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.78
3AP3-AMINOPYRIDINEA1AEF0.81
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.75
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.71
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.86
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.73
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.76
PYS2-PYRIDINETHIOLA,B1CTE0.77
PYS2-PYRIDINETHIOLA2IPP0.77
ISQISOQUINOLINEA1GDK0.75
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
RBUA,B1BEX0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.77