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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01061379

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A1XP00.71
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A,B3B2R0.71
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A,B1XOT0.71
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A1UHO0.71
PO5(2S)-1-(dimethylamino)-3-(4-{[4-
(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-
3-yl)pyrimidin-2-yl]amino}phenoxy)propan-
2-ol
A3EID0.71
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A,B3EN50.72
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBE0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBA0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBD0.71
PQA[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
A2BAL0.71
3IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1R0.71
JEN3-METHOXY-6-[4-(3-METHYLPHENYL)-
1-PIPERAZINYL]PYRIDAZINE
11R090.7
JEN3-METHOXY-6-[4-(3-METHYLPHENYL)-
1-PIPERAZINYL]PYRIDAZINE
12HWF0.7
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.72
3P45-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-
3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-
3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A2CHM0.71
GG21-(4-METHOXYPHENYL)-7-OXO-6-[4-
(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-
TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-
3-CARBOXAMIDE
A2P160.71
4JZ1-[5-tert-butyl-2-(4-methylphenyl)-
1,2-dihydro-3H-pyrazol-3-ylidene]-
3-{3-[(pyridin-3-yloxy)methyl]-
1H-pyrazol-5-yl}urea
A3FZT0.73
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A3FZS0.74
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A1KV20.74
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.7
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41VBB0.71
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41PO10.71
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1XOS0.76
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1TBF0.76
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A,B,C2H420.76
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1UDT0.76
L09N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-
N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
A1WBN0.7
FRI2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-
(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-
2,3-DICHLORO-PHENYL]-2-METHYL-2H-
PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-
OXO-ETHYL]-AMIDE
A,B,C,D1QVN0.74
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41PO20.72
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41VBC0.72