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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03341001

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.84
APY2-AMINOMETHYL-PYRIDINEI1IVP0.84
DEQDEQUALINIUMA,B,D,E1JT60.71
DEQDEQUALINIUMA,B,D,E3BR20.71
DEQDEQUALINIUMA1OYD0.71
DEQDEQUALINIUMA,B,D,E3BT90.71
DEQDEQUALINIUMA,B,D,E3BTJ0.71
DEQDEQUALINIUMA,B,D,E3BR10.71
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
NTNISONICOTINAMIDINEA7ADH0.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.71
D4GA,B,C,D2FDY0.7
2862-ethenyl-1-methylpyridiniumX2RC20.79
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.77
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
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
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.84
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.75
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.74
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.84
DA1PYRIDINE-2,5-DIAMINEA2AQD0.76
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.71
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.7
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.73
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.72
PHN1,10-PHENANTHROLINEA1LIH0.81
PHN1,10-PHENANTHROLINEA2LIG0.81
PHN1,10-PHENANTHROLINEA,B2FU70.81
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.78
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
1SQISOQUINOLIN-1-AMINEA2OHK0.72
ISQISOQUINOLINEA1GDK0.74
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.74
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.82
QUI2-CARBOXYQUINOXALINEA1PFE0.74
QUI2-CARBOXYQUINOXALINEA,B2DA80.74
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.74
QUI2-CARBOXYQUINOXALINEA1VS20.74
QUI2-CARBOXYQUINOXALINEA1XVN0.74
QUI2-CARBOXYQUINOXALINEA,B185D0.74
QUI2-CARBOXYQUINOXALINEA1XVK0.74
QUI2-CARBOXYQUINOXALINEA,C1XVR0.74
QUI2-CARBOXYQUINOXALINEA,B3GO30.74
4AP4-AMINOPYRIDINEA1AEG0.74
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.8
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
3AP3-AMINOPYRIDINEA1AEF0.8
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.73