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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00829514

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE		A,B1AOE0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.74
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.74
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide		A3DBC0.71
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM		A,B2F170.7
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM		A,B3D2V0.7
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.71
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		B,D,E,H1Y180.71
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		A,D,E,F,H1Y0L0.71
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.7
FOLFOLIC ACIDA1PJ60.76
FOLFOLIC ACIDA,B1RD70.76
FOLFOLIC ACIDA,B1DHF0.76
FOLFOLIC ACIDA,B,C,D,E1QZF0.76
FOLFOLIC ACIDA4CD20.76
FOLFOLIC ACIDA1RX70.76
FOLFOLIC ACIDA1RX20.76
FOLFOLIC ACIDA1RX80.76
FOLFOLIC ACIDA1RA20.76
FOLFOLIC ACIDA,B1RE70.76
FOLFOLIC ACIDA7DFR0.76
FOLFOLIC ACIDA1VIF0.76
FOLFOLIC ACIDA,B1RB20.76
FOLFOLIC ACIDA1CD20.76
FOLFOLIC ACIDA2CD20.76
FOLFOLIC ACIDA,B1DYI0.76
FOLFOLIC ACIDA1DRF0.76
FOLFOLIC ACIDA,B,C,D3BMC0.76
FOLFOLIC ACIDA,B2D0K0.76
FOLFOLIC ACIDA1RA80.76
AP62,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINEA,B1DMK0.71
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.72
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.7
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B,C,D2C110.71
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B1SPU0.71
PB4N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUD0.72
CC3N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE		A2NP80.72
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
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.72
OLOOLOMOUCINEA4ERK0.72
OLOOLOMOUCINEC1W0X0.72
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE		A1S6Q0.7
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H		1W0C0.76
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JUJ0.7
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JU60.7
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.79
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide		A3FQE0.72
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		A3BI10.75
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W6T0.7
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W160.7
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W760.7
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W780.7
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W6U0.7
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W770.7
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.72
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.78
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,B1DIB0.74
RW14-phenylpyrimidineA,B,C3B9S0.72
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.82
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.72
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.72
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID		A,B,C,D1HZS0.72
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE		A2B530.7
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.73
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.73
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.72
P40N-cyclopropyl-4-methyl-3-{2-[(2-
morpholin-4-ylethyl)amino]quinazolin-
6-yl}benzamide		A3DT10.71
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID		A,B1T1R0.7
TRNNZ2-TRYPTOPHANA,B,C1AM70.74
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.76
DZF5-DEAZAFOLIC ACIDA,B2DHF0.78
DZF5-DEAZAFOLIC ACIDA,B1DYH0.78
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.78
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A2J5F0.74
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A,B2HWP0.74
MQU7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-
7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-
DIAMINE		A,B1M7A0.72
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
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.75
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
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.75
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.75
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.71
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.7
C193-(2-aminoquinazolin-6-yl)-1-(3,3-
dimethylindolin-6-yl)-4-methylpyridin-
2(1H)-one		A,B3CP90.7
1N8N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[2-(METHYLAMINO)QUINAZOLIN-6-
YL]BENZAMIDE		A,B2OG80.7
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.73
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2IKO0.7
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2G240.7
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide		A,B2QQ70.73
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide		A,B2QLQ0.73
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE		A1SQO0.71
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.73
354N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-
6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-
L-GLUTAMIC ACID		A,B1P4R0.76
XX5(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-
BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-
4-METHYL-PENTANOIC ACID		A1R4L0.73
C523-(2-aminoquinazolin-6-yl)-4-methyl-
1-[3-(trifluoromethyl)phenyl]pyridin-
2(1H)-one		A,B3CPC0.71
2AQQUINOLIN-2-AMINEA2OHL0.71
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE		A1KMS0.74
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide		A3EXO0.72
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.76
2423-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-
N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2OFV0.7
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.72
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
DFZ3-AMINO-3-BENZYL-[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE		A2BRM0.7
PT1PTEROIC ACIDA,B1TX00.71
PT1PTEROIC ACIDA1BR60.71
PT1PTEROIC ACIDA,B1HWP0.71
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.75
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A,B2ZD10.7
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A2ZE20.7
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A,B3BGR0.7
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol		A,C3DDP0.72
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.72
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.71
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.72
RRCR-ROSCOVITINEA,B,C,D3DDQ0.73
RRCR-ROSCOVITINEA1YGK0.73
RRCR-ROSCOVITINEA1UNL0.73
RRCR-ROSCOVITINEA2A4L0.73
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.7
CCK[1-(6-{6-[(1-methylethyl)amino]-
1H-indazol-1-yl}pyrazin-2-yl)-1H-
pyrrol-3-yl]acetic acid		X3E3B0.73
L37A,B1DIG0.76
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.77