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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02928031

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D253-phenyl-5-(1H-pyrazol-3-yl)isoxazoleA,B,C,D2VCQ0.77
JNJ1-(3-amino-1,2-benzisoxazol-5-yl)-
6-(4-{2-[(dimethylamino)methyl]-
1H-imidazol-1-yl}-2-fluorophenyl)-
7-fluoro-1H-indazole-3-carboxamide
A2RA00.76
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.7
JK13-{4-[(phenylcarbamoyl)amino]-1H-
pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide
A3FI20.71
337N-benzyl-1-[5-({5-tert-butyl-2-
methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-
2-methylphenyl]-1H-1,2,3-triazole-
4-carboxamide
A3CTQ0.7
IK81-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-
N-(4-{2-[(DIMETHYLAMINO)METHYL]-
1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-
3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-
5-CARBOXAMIDE
A1Z6E0.77
AG74-{2-(4-FLUORO-BENZYL)-6-METHYL-
5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-
AMINO]-4-OXO-HEPTANOYLAMINO}-5-
(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
A1CQQ0.73
IFCN-[2-methyl-5-({[3-(4-methyl-1H-
imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-
5-carboxamide
A3DZQ0.71
5QC1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-
6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-
1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-
1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-
C]PYRIDIN-7-ONE
A2FZZ0.77
LG01-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-
1-ylmethyl)cyclopropyl)phenyl)-
3-(trifluoromethyl)-5,6-dihydro-
1H-pyrazolo[3,4-c]pyridin-7(4H)-
one
A3CS70.75
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
A2P160.72
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.72
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A2HOB0.73
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2AMQ0.73
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B,C,D3D230.73
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2Q6F0.73
5MRNALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-
2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-
L-TRYPTOPHANAMIDE
A,B2OVZ0.74