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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00518333

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.78
4MZ4-METHYLIMIDAZOLEA1DTM0.71
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.71
4MZ4-METHYLIMIDAZOLEA2FNN0.71
4MZ4-METHYLIMIDAZOLEA1MOO0.71
4MZ4-METHYLIMIDAZOLEA1G0E0.71
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.73
5MB5-METHYLBENZIMIDAZOLEA1JHM0.71
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.72
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.72
6MP6-METHYLPURINEA,B,C1OU40.76
6MP6-METHYLPURINEA,B,C1OTY0.76
6MP6-METHYLPURINEA2PUA0.76
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.7
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.7
A134-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-
2-AMINE
A2QFO0.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.75
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.7
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.73
9DA9-DEAZAADENINEA1L1R0.78
9DA9-DEAZAADENINEA1L1Q0.78
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.72
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.71
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.73
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.71
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.72
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide
A3CGO0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.76
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.76
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.76
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.76
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.76
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.76
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.76
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.76
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.76
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.73
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.73
BZIBENZIMIDAZOLEA1RYC0.73
BZIBENZIMIDAZOLEA1L5F0.73
BZIBENZIMIDAZOLEA1KXM0.73
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.73
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.72
CQW5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-
4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-
c]pyridine
A3CQW0.72
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.7
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.7
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.7
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE
A2PVM0.7
HSMHISTAMINEA,B1U180.78
HSMHISTAMINEA1AVN0.78
HSMHISTAMINEA,B1KAR0.78
HSMHISTAMINEA,B1NP10.78
HSMHISTAMINEA,B1JQD0.78
HSMHISTAMINEA,B2QEB0.78
HSMHISTAMINEA,B1QFV0.78
HSMHISTAMINEA1IKE0.78
HSMHISTAMINEA3BU10.78
HSMHISTAMINEA,B1QFT0.78
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.71
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.73
2BP9H-purin-2-amineA3G4M0.74