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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03358382

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
MNT2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-
5'-DIPHOSPHATE		A1LVK0.73
FOLFOLIC ACIDA1PJ60.71
FOLFOLIC ACIDA,B1RD70.71
FOLFOLIC ACIDA,B1DHF0.71
FOLFOLIC ACIDA,B,C,D,E1QZF0.71
FOLFOLIC ACIDA4CD20.71
FOLFOLIC ACIDA1RX70.71
FOLFOLIC ACIDA1RX20.71
FOLFOLIC ACIDA1RX80.71
FOLFOLIC ACIDA1RA20.71
FOLFOLIC ACIDA,B1RE70.71
FOLFOLIC ACIDA7DFR0.71
FOLFOLIC ACIDA1VIF0.71
FOLFOLIC ACIDA,B1RB20.71
FOLFOLIC ACIDA1CD20.71
FOLFOLIC ACIDA2CD20.71
FOLFOLIC ACIDA,B1DYI0.71
FOLFOLIC ACIDA1DRF0.71
FOLFOLIC ACIDA,B,C,D3BMC0.71
FOLFOLIC ACIDA,B2D0K0.71
FOLFOLIC ACIDA1RA80.71
1N8N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[2-(METHYLAMINO)QUINAZOLIN-6-
YL]BENZAMIDE		A,B2OG80.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.7
NIXNALIDIXIC ACIDA,B2BQ20.71
L37A,B1DIG0.73
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.72
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM		A,B1QCJ0.74
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.75
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.75
3BI(2S)-2-{[(R)-[(3R)-3-carboxy-3-
{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid		A3BI10.72
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.71
354N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-
6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-
L-GLUTAMIC ACID		A,B1P4R0.74
KT5N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-
PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-
1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-
GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-
GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID		A,B1RC00.71
KT5N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-
PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-
1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-
GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-
GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID		A,B1RBZ0.71
KT5N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-
PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-
1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-
GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-
GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID		A,B1RBM0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.71
MTXMETHOTREXATEA,B1DRB0.76
MTXMETHOTREXATEA,B,C,D2C7V0.76
MTXMETHOTREXATEA1U700.76
MTXMETHOTREXATEA,B,C,D1MXF0.76
MTXMETHOTREXATEA2QK80.76
MTXMETHOTREXATEA,B1RB30.76
MTXMETHOTREXATEA,B1DHJ0.76
MTXMETHOTREXATEA3DAU0.76
MTXMETHOTREXATEA1U720.76
MTXMETHOTREXATEA,B2DRC0.76
MTXMETHOTREXATEA,B1D1G0.76
MTXMETHOTREXATEA,B1DDR0.76
MTXMETHOTREXATEA,B1E7W0.76
MTXMETHOTREXATEA1RX30.76
MTXMETHOTREXATEA3DFR0.76
MTXMETHOTREXATEA,B,C,D1P330.76
MTXMETHOTREXATEA3DAT0.76
MTXMETHOTREXATEA,B1DHI0.76
MTXMETHOTREXATEA,B1TDR0.76
MTXMETHOTREXATEA,B1DRA0.76
MTXMETHOTREXATEA3EIG0.76
MTXMETHOTREXATEA3CD20.76
MTXMETHOTREXATEA1AO80.76
MTXMETHOTREXATEA1DF70.76
MTXMETHOTREXATEA1DLS0.76
MTXMETHOTREXATEA1RG70.76
MTXMETHOTREXATEA1RH30.76
MTXMETHOTREXATEA,B4DFR0.76
MTXMETHOTREXATEA1RA30.76
MTXMETHOTREXATEA,B1DDS0.76
MTXMETHOTREXATEA1DRE0.76
MTXMETHOTREXATEA,B1AXW0.76
MTXMETHOTREXATEA3CL90.76
MTXMETHOTREXATEA,B3DRC0.76
MTXMETHOTREXATEA,B,C,D,E2OIP0.76
KT3N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-
PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-
1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-
GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID		A,B1RC10.72
L24[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-
HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-
6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID		A,B1DIA0.74
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.77
PVBPURVALANOLA1CKP0.75
PVBPURVALANOLA,B1V0P0.75
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.73
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.74
DFWN-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)GLYCINE		A2BRH0.7
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE		A2FO00.73
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE		A1OPK0.73
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE		A,B1OPL0.73
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE		A,B2G2H0.73
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.79
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.74
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.74
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.73
SAS2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACIDA,B13GS0.71
138A,B,C,D1JKX0.75
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.77
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.77
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.71
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.74
L344-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-
TETRAHYDRO-2,5,6,8,9B-PENTAAZA-
CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-
GLUTAMIC ACID		A,B1DIB0.71
HPMN-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-
1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-
4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE		A,B2C6E0.71
ONAA,C2GVZ0.74
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.71
QNDQUINALDIC ACIDA,B1IDA0.73
2423-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-
N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2OFV0.7
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.71
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE		A,B,C,D,E,F1LVC0.71
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate		A3EA40.73
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.73
GRDbenzyl (S)-1-((2S,3S)-1-(3-(6-amino-
9H-purin-9-yl)propylamino)-2-hydroxy-
1-oxopentan-3-ylamino)-4-methyl-
1-oxopentan-2-ylcarbamate		A2R9C0.71
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.71
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide		A,B2VRX0.71
P40N-cyclopropyl-4-methyl-3-{2-[(2-
morpholin-4-ylethyl)amino]quinazolin-
6-yl}benzamide		A3DT10.72
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W6T0.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W160.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W760.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W780.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W6U0.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W770.71
24XH,L2EC90.73
DZF5-DEAZAFOLIC ACIDA,B2DHF0.73
DZF5-DEAZAFOLIC ACIDA,B1DYH0.73
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.73
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.71
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.71
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.71
PT1PTEROIC ACIDA,B1TX00.76
PT1PTEROIC ACIDA1BR60.76
PT1PTEROIC ACIDA,B1HWP0.76
R784-{[(7R)-8-cyclopentyl-7-ethyl-
5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-
2-yl]amino}-3-methoxy-N-(1-methylpiperidin-
4-yl)benzamide		A2RKU0.7
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1TL70.71
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1U0H0.71
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.7
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.72
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.71
5HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-
5-(1-methylethyl)-1H-imidazol-1-
yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CCZ0.71
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE		A2QHM0.7