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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005763

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.75
NTNISONICOTINAMIDINEA7ADH0.79
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.72
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.85
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.76
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.71
2AP2-AMINOPYRIDINEA1AEO0.93
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.7
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.71
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.77
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.82
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE
A2PVM0.71
RBUA,B1BEX0.73
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
A2J9M0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.7
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.71
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.75
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.81
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.7
PYS2-PYRIDINETHIOLA,B1CTE0.71
PYS2-PYRIDINETHIOLA2IPP0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.71
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.76
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.76
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.76
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.73
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.75
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.82
APY2-AMINOMETHYL-PYRIDINEI1IVP0.82
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.76
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.88
DA1PYRIDINE-2,5-DIAMINEA2AQD0.94
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.74
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.71
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.78
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.8
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.72
9DA9-DEAZAADENINEA1L1R0.82
9DA9-DEAZAADENINEA1L1Q0.82
2AQQUINOLIN-2-AMINEA2OHL0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.84
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.84
2862-ethenyl-1-methylpyridiniumX2RC20.75
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.71
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.79
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.73
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.84
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.78
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol
A,B3B3M0.71
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.71
5MB5-METHYLBENZIMIDAZOLEA1JHM0.73
4AP4-AMINOPYRIDINEA1AEG0.84
BZIBENZIMIDAZOLEA1RYC0.78
BZIBENZIMIDAZOLEA1L5F0.78
BZIBENZIMIDAZOLEA1KXM0.78
RW14-phenylpyrimidineA,B,C3B9S0.71
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.83
3AP3-AMINOPYRIDINEA1AEF0.9
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.78
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.78
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.78
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.78
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.78
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.78
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.78
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.71