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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00704765

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FRTN-(2-METHOXYETHYL)-4-({4-[2-METHYL-
1-(1-METHYLETHYL)-1H-IMIDAZOL-5-
YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
A2W050.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.71
3AP3-AMINOPYRIDINEA1AEF0.72
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.73
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.82
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.82
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.77
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.79
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.81
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID
A,B,C,D1HZS0.7
89I5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-
MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-
4-AMINE
A,B2I6B0.71
PC01-[2-(4-ETHOXY-3-FLUOROPYRIDIN-
2-YL)ETHYL]-3-(5-METHYLPYRIDIN-
2-YL)THIOUREA
A2HNZ0.7
2862-ethenyl-1-methylpyridiniumX2RC20.71
C1D1-(2-{[(6-AMINO-2-METHYLPYRIDIN-
3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-
3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-
1,4-DIHYDROPYRAZIN-2-OL
H,I2BXU0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
2AP2-AMINOPYRIDINEA1AEO0.83
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid
A,B3CJ00.73
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
4AP4-AMINOPYRIDINEA1AEG0.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.82
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.8
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.8
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.8
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.71
PY86-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-
1(18),3(19),4,6,14,16-HEXAENE 13,13-
DIOXIDE
A2J9M0.7
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.7
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol
A,B3B3M0.71
NTNISONICOTINAMIDINEA7ADH0.74
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine
A3CUV0.72
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.73
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76
DA1PYRIDINE-2,5-DIAMINEA2AQD0.8