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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023315

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4AP4-AMINOPYRIDINEA1AEG0.79
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.74
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.76
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.74
ISQISOQUINOLINEA1GDK0.71
3AP3-AMINOPYRIDINEA1AEF0.78
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.72
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE
A,B1V970.75
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
1SQISOQUINOLIN-1-AMINEA2OHK0.8
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.75
2AQQUINOLIN-2-AMINEA2OHL0.7
2AP2-AMINOPYRIDINEA1AEO0.91
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.76
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.73
RW14-phenylpyrimidineA,B,C3B9S0.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.82
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.76
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.76
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.76
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
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
9DA9-DEAZAADENINEA1L1R0.72
9DA9-DEAZAADENINEA1L1Q0.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
MILMILRINONEA,B1TLM0.75
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.77
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.74
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.74
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.74
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.74
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.89
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.89
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.81
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.76
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.72
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.72
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.87
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.78
NTNISONICOTINAMIDINEA7ADH0.84
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.71