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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02367998

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FRTN-(2-METHOXYETHYL)-4-({4-[2-METHYL-
1-(1-METHYLETHYL)-1H-IMIDAZOL-5-
YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE		A2W050.79
MTXMETHOTREXATEA,B1DRB0.8
MTXMETHOTREXATEA,B,C,D2C7V0.8
MTXMETHOTREXATEA1U700.8
MTXMETHOTREXATEA,B,C,D1MXF0.8
MTXMETHOTREXATEA2QK80.8
MTXMETHOTREXATEA,B1RB30.8
MTXMETHOTREXATEA,B1DHJ0.8
MTXMETHOTREXATEA3DAU0.8
MTXMETHOTREXATEA1U720.8
MTXMETHOTREXATEA,B2DRC0.8
MTXMETHOTREXATEA,B1D1G0.8
MTXMETHOTREXATEA,B1DDR0.8
MTXMETHOTREXATEA,B1E7W0.8
MTXMETHOTREXATEA1RX30.8
MTXMETHOTREXATEA3DFR0.8
MTXMETHOTREXATEA,B,C,D1P330.8
MTXMETHOTREXATEA3DAT0.8
MTXMETHOTREXATEA,B1DHI0.8
MTXMETHOTREXATEA,B1TDR0.8
MTXMETHOTREXATEA,B1DRA0.8
MTXMETHOTREXATEA3EIG0.8
MTXMETHOTREXATEA3CD20.8
MTXMETHOTREXATEA1AO80.8
MTXMETHOTREXATEA1DF70.8
MTXMETHOTREXATEA1DLS0.8
MTXMETHOTREXATEA1RG70.8
MTXMETHOTREXATEA1RH30.8
MTXMETHOTREXATEA,B4DFR0.8
MTXMETHOTREXATEA1RA30.8
MTXMETHOTREXATEA,B1DDS0.8
MTXMETHOTREXATEA1DRE0.8
MTXMETHOTREXATEA,B1AXW0.8
MTXMETHOTREXATEA3CL90.8
MTXMETHOTREXATEA,B3DRC0.8
MTXMETHOTREXATEA,B,C,D,E2OIP0.8
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.79
A94N-[(2-AMINO-6-METHYLPYRIMIDIN-4-
YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-
3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A,B2QG00.73
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.75
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide		A,B2R9S0.73
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		A3BI10.76
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE		A1OIT0.78
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.7
FOLFOLIC ACIDA1PJ60.7
FOLFOLIC ACIDA,B1RD70.7
FOLFOLIC ACIDA,B1DHF0.7
FOLFOLIC ACIDA,B,C,D,E1QZF0.7
FOLFOLIC ACIDA4CD20.7
FOLFOLIC ACIDA1RX70.7
FOLFOLIC ACIDA1RX20.7
FOLFOLIC ACIDA1RX80.7
FOLFOLIC ACIDA1RA20.7
FOLFOLIC ACIDA,B1RE70.7
FOLFOLIC ACIDA7DFR0.7
FOLFOLIC ACIDA1VIF0.7
FOLFOLIC ACIDA,B1RB20.7
FOLFOLIC ACIDA1CD20.7
FOLFOLIC ACIDA2CD20.7
FOLFOLIC ACIDA,B1DYI0.7
FOLFOLIC ACIDA1DRF0.7
FOLFOLIC ACIDA,B,C,D3BMC0.7
FOLFOLIC ACIDA,B2D0K0.7
FOLFOLIC ACIDA1RA80.7
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.72
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE		A2W060.78
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.71
IM92-{4-[4-({4-[2-methyl-1-(1-methylethyl)-
1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-
1-yl}-2-oxoethanol		A2VV90.71
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.77
P1E4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-N-methylbenzenesulfonamide		A3H3C0.74
BII2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-
4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-
1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-
4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE		A2JKM0.72
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.73
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide		A3E9Y0.7
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.76