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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02565412

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LI94-(4-FLUOROPHENYL)-1-METHYL-5-(2-
{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-
4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-
3H-PYRAZOL-3-ONE		A1YWR0.71
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.7
A913-({2-[(2-AMINO-6-METHYLPYRIMIDIN-
4-YL)ETHYNYL]BENZYL}AMINO)-1,3-
OXAZOL-2(3H)-ONE		A2QG20.74
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.7
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.71
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.71
RW14-phenylpyrimidineA,B,C3B9S0.74
L37A,B1DIG0.73
PB4N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUD0.72
354N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-
6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-
L-GLUTAMIC ACID		A,B1P4R0.7
PT1PTEROIC ACIDA,B1TX00.7
PT1PTEROIC ACIDA1BR60.7
PT1PTEROIC ACIDA,B1HWP0.7
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.71
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.72
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.72
QNDQUINALDIC ACIDA,B1IDA0.71
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.73
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
35AN-[(5R,14R)-5-AMINO-5,14-DIMETHYL-
4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-
1(21),7(22),8,10,17,19-HEXAEN-19-
YL]-N-METHYLMETHANESULFONAMIDE		A2PH80.73
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.74
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,D3CCZ0.7
DZF5-DEAZAFOLIC ACIDA,B2DHF0.7
DZF5-DEAZAFOLIC ACIDA,B1DYH0.7
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.7
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
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.74
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.71
9772-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-
4-OL		A1RSI0.71
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.73
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2IKO0.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2G240.72
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.72
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLC0.74
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLB0.74
TRNNZ2-TRYPTOPHANA,B,C1AM70.75
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.72
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate		A3EA40.73
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.7
MTXMETHOTREXATEA,B1DRB0.72
MTXMETHOTREXATEA,B,C,D2C7V0.72
MTXMETHOTREXATEA1U700.72
MTXMETHOTREXATEA,B,C,D1MXF0.72
MTXMETHOTREXATEA2QK80.72
MTXMETHOTREXATEA,B1RB30.72
MTXMETHOTREXATEA,B1DHJ0.72
MTXMETHOTREXATEA3DAU0.72
MTXMETHOTREXATEA1U720.72
MTXMETHOTREXATEA,B2DRC0.72
MTXMETHOTREXATEA,B1D1G0.72
MTXMETHOTREXATEA,B1DDR0.72
MTXMETHOTREXATEA,B1E7W0.72
MTXMETHOTREXATEA1RX30.72
MTXMETHOTREXATEA3DFR0.72
MTXMETHOTREXATEA,B,C,D1P330.72
MTXMETHOTREXATEA3DAT0.72
MTXMETHOTREXATEA,B1DHI0.72
MTXMETHOTREXATEA,B1TDR0.72
MTXMETHOTREXATEA,B1DRA0.72
MTXMETHOTREXATEA3EIG0.72
MTXMETHOTREXATEA3CD20.72
MTXMETHOTREXATEA1AO80.72
MTXMETHOTREXATEA1DF70.72
MTXMETHOTREXATEA1DLS0.72
MTXMETHOTREXATEA1RG70.72
MTXMETHOTREXATEA1RH30.72
MTXMETHOTREXATEA,B4DFR0.72
MTXMETHOTREXATEA1RA30.72
MTXMETHOTREXATEA,B1DDS0.72
MTXMETHOTREXATEA1DRE0.72
MTXMETHOTREXATEA,B1AXW0.72
MTXMETHOTREXATEA3CL90.72
MTXMETHOTREXATEA,B3DRC0.72
MTXMETHOTREXATEA,B,C,D,E2OIP0.72
TABACETIC ACID N-[2-CHLORO-5-[6-ETHYL-
2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-
[BENZYL-TRIAZEN-3-YL]ETHYL ESTER		A1VJ30.72
6HI(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-
4-(4-fluorophenyl)-1-(1-methylethyl)-
1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid		B,C,D3CD00.7
L24[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-
HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-
6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID		A,B1DIA0.72
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.71
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE		A,B1T9C0.74
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE		A1YI00.74
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
GMG[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-
b]pyridin-3-yl)phenyl]acetic acid		A3HDN0.7
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE		A,B3E680.71
FBI7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-
2-(METHANESULFONYL-METHYL-AMINO)-
PYRIMIDIN-5-YL] -3,5-DIHYDROXY-
HEPTANOIC ACID		A,B,C,D1HWL0.75
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.79
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.79
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		B,D,E,H1Y180.73
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		A,D,E,F,H1Y0L0.73
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.7
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.72
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.72
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.74
NIXNALIDIXIC ACIDA,B2BQ20.73
XX5(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-
BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-
4-METHYL-PENTANOIC ACID		A1R4L0.7
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.73
4PPC,L1XKA0.73
4PPA,B,C,D1XKB0.73