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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02545614

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PAD5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-
DINUCLEOTIDE		A1A720.7
PAD5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-
DINUCLEOTIDE		A,B1ADC0.7
PT1PTEROIC ACIDA,B1TX00.73
PT1PTEROIC ACIDA1BR60.73
PT1PTEROIC ACIDA,B1HWP0.73
IM92-{4-[4-({4-[2-methyl-1-(1-methylethyl)-
1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-
1-yl}-2-oxoethanol		A2VV90.72
3DD(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-
C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID		A,B,C,D,E,F,
G,H		2H5L0.71
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1UML0.73
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine		A2W170.74
FR51-((1R)-1-(HYDROXYMETHYL)-3-(6-
((3-(1-METHYL-1H-BENZIMIDAZOL-2-
YL)PROPANOYL)AMINO)-1H-INDOL-1-
YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDZ0.74
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.71
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B408D0.8
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B1CVY0.8
FR91-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-
1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1O5R0.72
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1NZQ0.72
DMYDISTAMYCIN AA217D0.73
DMYDISTAMYCIN AA1K2Z0.73
DMYDISTAMYCIN AA,B,E,F2JT70.73
DMYDISTAMYCIN AA,B267D0.73
DMYDISTAMYCIN AA306D0.73
DMYDISTAMYCIN AA304D0.73
DMYDISTAMYCIN AA305D0.73
DMYDISTAMYCIN AA1JUX0.73
DMYDISTAMYCIN AA2DND0.73
DMYDISTAMYCIN AA,B,C,D378D0.73
DMYDISTAMYCIN AB1JTL0.73
DMYDISTAMYCIN AA159D0.73
DMYDISTAMYCIN AA216D0.73
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1O0D0.72
PYCPYRROLE-2-CARBOXYLATEA1W620.73
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.73
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.73
PYCPYRROLE-2-CARBOXYLATEA,B1W610.73
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.73
PVBPURVALANOLA1CKP0.71
PVBPURVALANOLA,B1V0P0.71
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KQO0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H290.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1NUQ0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1WXG0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KAQ0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1EE10.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D3E270.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1XQD0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H2A0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1IFX0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1XNG0.72
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM		A,B1QCJ0.72
MTXMETHOTREXATEA,B1DRB0.74
MTXMETHOTREXATEA,B,C,D2C7V0.74
MTXMETHOTREXATEA1U700.74
MTXMETHOTREXATEA,B,C,D1MXF0.74
MTXMETHOTREXATEA2QK80.74
MTXMETHOTREXATEA,B1RB30.74
MTXMETHOTREXATEA,B1DHJ0.74
MTXMETHOTREXATEA3DAU0.74
MTXMETHOTREXATEA1U720.74
MTXMETHOTREXATEA,B2DRC0.74
MTXMETHOTREXATEA,B1D1G0.74
MTXMETHOTREXATEA,B1DDR0.74
MTXMETHOTREXATEA,B1E7W0.74
MTXMETHOTREXATEA1RX30.74
MTXMETHOTREXATEA3DFR0.74
MTXMETHOTREXATEA,B,C,D1P330.74
MTXMETHOTREXATEA3DAT0.74
MTXMETHOTREXATEA,B1DHI0.74
MTXMETHOTREXATEA,B1TDR0.74
MTXMETHOTREXATEA,B1DRA0.74
MTXMETHOTREXATEA3EIG0.74
MTXMETHOTREXATEA3CD20.74
MTXMETHOTREXATEA1AO80.74
MTXMETHOTREXATEA1DF70.74
MTXMETHOTREXATEA1DLS0.74
MTXMETHOTREXATEA1RG70.74
MTXMETHOTREXATEA1RH30.74
MTXMETHOTREXATEA,B4DFR0.74
MTXMETHOTREXATEA1RA30.74
MTXMETHOTREXATEA,B1DDS0.74
MTXMETHOTREXATEA1DRE0.74
MTXMETHOTREXATEA,B1AXW0.74
MTXMETHOTREXATEA3CL90.74
MTXMETHOTREXATEA,B3DRC0.74
MTXMETHOTREXATEA,B,C,D,E2OIP0.74
CCK[1-(6-{6-[(1-methylethyl)amino]-
1H-indazol-1-yl}pyrazin-2-yl)-1H-
pyrrol-3-yl]acetic acid		X3E3B0.72
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.74
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.85
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.85
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.85
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.85
HP1IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDEA,B407D0.79
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1QXL0.72
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.73
GDV(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-
DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDINE-2-CARBOXAMIDE		A2J470.71
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.7
HP2HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDEA,B1CVX0.79
IIPIMIDAZOLE-PYRROLE POLYAMIDEA,B365D0.8
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.75
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.75
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.84
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.84
P11IMIDAZOLE-PYRROLE-BETA ALANINE-
IMIDAZOLE-BETA ALANINE-IMIDAZOLE-
PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE		A1LEJ0.78
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.73
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.7
NXXA,B,C,D3DLA0.72
NXXA,B,C2QTR0.72
CYEB1PQQ0.76