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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024502

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DA1PYRIDINE-2,5-DIAMINEA2AQD0.91
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1RTH0.7
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1RT30.7
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1LW20.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.8
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.8
9DA9-DEAZAADENINEA1L1R0.74
9DA9-DEAZAADENINEA1L1Q0.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.76
26DPYRIDINE-2,6-DIAMINEA2ANZ0.77
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.77
APY2-AMINOMETHYL-PYRIDINEI1IVP0.77
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
2862-ethenyl-1-methylpyridiniumX2RC20.71
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.71
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.71
2AP2-AMINOPYRIDINEA1AEO0.82
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.81
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.71
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.71
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.73
2755-amino-1,2-dimethylpyridiniumX2RBW0.79
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.81
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.74
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
4AP4-AMINOPYRIDINEA1AEG0.74
NTNISONICOTINAMIDINEA7ADH0.75
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.7
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.77
3AP3-AMINOPYRIDINEA1AEF0.8
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72