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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025258

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.7
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
2AP2-AMINOPYRIDINEA1AEO0.84
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.8
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.8
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol
A,B3B3M0.74
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.71
3AP3-AMINOPYRIDINEA1AEF0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.74
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.7
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.7
5MB5-METHYLBENZIMIDAZOLEA1JHM0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
DA1PYRIDINE-2,5-DIAMINEA2AQD0.79
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.7
2MI2-METHYL-1H-INDOLEA2PIO0.71
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.86
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.73
NTNISONICOTINAMIDINEA7ADH0.72
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.73
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.7
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.7
2862-ethenyl-1-methylpyridiniumX2RC20.73
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.7
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.72
2AQQUINOLIN-2-AMINEA2OHL0.81
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.71
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.71
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.74
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.7
1SQISOQUINOLIN-1-AMINEA2OHK0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.78
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.78
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.72
9DA9-DEAZAADENINEA1L1R0.71
9DA9-DEAZAADENINEA1L1Q0.71
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.71
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.71
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.88
BZIBENZIMIDAZOLEA1RYC0.72
BZIBENZIMIDAZOLEA1L5F0.72
BZIBENZIMIDAZOLEA1KXM0.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.79
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.7
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.7
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.7
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.7
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.7
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.7
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.7
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.7
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.7
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.7
4AP4-AMINOPYRIDINEA1AEG0.73