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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01567789

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N414-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)--BENZAMIDE		A,B,C,D1OIY0.71
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,D3CCZ0.74
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE		A,B,C,D,E,F1LVC0.77
BZCA1EFY0.71
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.73
T152-{3-[(benzylsulfonyl)amino]-6-
methyl-2-oxopyridin-1(2H)-yl}-N-
({1-[2-(tert-butylamino)-2-oxoethyl]-
4-methyl-1H-imidazol-5-yl}methyl)acetamide		A,B3C1K0.7
GSSA1AP10.72
9795,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
D]PYRIMIDIN-4-AMINE		A2OF40.72
E896-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A,D1Y5X0.71
PFQ2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)AMINO]ETHANOL		A2BRB0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE51NJP0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQO0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE0,51NJM0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE51NJO0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQL0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,2,3,4,9,
A,B,C,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQM0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q820.7
PPUPUROMYCIN-5'-MONOPHOSPHATE0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.7
PPUPUROMYCIN-5'-MONOPHOSPHATEB1FG00.7
PPUPUROMYCIN-5'-MONOPHOSPHATE1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q810.7
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		3CD60.7
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQP0.7
XIH2-({8-[(3R)-3-AMINOPIPERIDIN-1-
YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-
TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE		A2GBI0.77
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.7
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,B1DIB0.7
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE		A,B,C,D2AJ80.81
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide		A3D3P0.7
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A,B2VQQ0.7
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A,B2VQO0.7
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A2VQJ0.7
4HI(3R,5R)-7-[4-(benzylcarbamoyl)-
2-(4-fluorophenyl)-5-(1-methylethyl)-
1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid		B,C,D3CCW0.74
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		A2J470.7
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.76
ONAA,C2GVZ0.76
PUYPUROMYCINA,B2DPT0.72
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q7Y0.72
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE		A1NHX0.73
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		A2RKU0.71
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL		X2A0C0.71
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1TL70.78
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1U0H0.78
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.71
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY70.71
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione		A,B2RGU0.71
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE		A1PF80.71
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate		A1DD70.71
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.72
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.75
IH4N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)		A2BJU0.75
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.71
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE		A1M510.76
24XH,L2EC90.7
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.7
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDW0.71
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE		A2ORO0.72
CX1N-[(benzyloxy)carbonyl]-L-histidyl-
N-methyl-L-phenylalanyl-L-tyrosine		B3C720.71
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.71
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.77
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY80.72
DFWN-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)GLYCINE		A2BRH0.72
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.7
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.7
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		A2R9C0.8
PVBPURVALANOLA1CKP0.74
PVBPURVALANOLA,B1V0P0.74
LIR2-[(3S)-3-AMINOPIPERIDIN-1-YL]-
1-(2-CYANOBENZYL)-5-METHYL-4,6-
DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-
D]IMIDAZOL-1-IUM		A2I3Z0.73
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate		A3EA40.72
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE		A,B1T9C0.7
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE		A1YI00.7
TNDN-1,2,3,4-TETRAHYDRONAPHTH-1-YL-
2'-[3,5-DIMETHOXYBENZAMIDO]-2'-
DEOXY-ADENOSINE		A,B,C,D,E,F1I330.7
PM1[2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-
IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-
METHANONE		A1PYE0.72
AGNA1GNP0.8
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE		A2Z600.72
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE		A,B2QOH0.72
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE		A2QHM0.72
FOLFOLIC ACIDA1PJ60.73
FOLFOLIC ACIDA,B1RD70.73
FOLFOLIC ACIDA,B1DHF0.73
FOLFOLIC ACIDA,B,C,D,E1QZF0.73
FOLFOLIC ACIDA4CD20.73
FOLFOLIC ACIDA1RX70.73
FOLFOLIC ACIDA1RX20.73
FOLFOLIC ACIDA1RX80.73
FOLFOLIC ACIDA1RA20.73
FOLFOLIC ACIDA,B1RE70.73
FOLFOLIC ACIDA7DFR0.73
FOLFOLIC ACIDA1VIF0.73
FOLFOLIC ACIDA,B1RB20.73
FOLFOLIC ACIDA1CD20.73
FOLFOLIC ACIDA2CD20.73
FOLFOLIC ACIDA,B1DYI0.73
FOLFOLIC ACIDA1DRF0.73
FOLFOLIC ACIDA,B,C,D3BMC0.73
FOLFOLIC ACIDA,B2D0K0.73
FOLFOLIC ACIDA1RA80.73
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE		A1UYC0.71
RUN2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-
L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-
(2-METHYLPROPIONYL)IMIDAZOLE		B1HPS0.74
BPG9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINEA,B1QHI0.71
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.7
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		A2W170.71
LYD2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID		A,B1JUT0.7
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE		A1HFR0.72
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE		A1DAJ0.72
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE		A1HFQ0.72
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE		A1HFP0.72
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.71
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.76
GSRA1AF10.72
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.71
MTXMETHOTREXATEA,B1DRB0.7
MTXMETHOTREXATEA,B,C,D2C7V0.7
MTXMETHOTREXATEA1U700.7
MTXMETHOTREXATEA,B,C,D1MXF0.7
MTXMETHOTREXATEA2QK80.7
MTXMETHOTREXATEA,B1RB30.7
MTXMETHOTREXATEA,B1DHJ0.7
MTXMETHOTREXATEA3DAU0.7
MTXMETHOTREXATEA1U720.7
MTXMETHOTREXATEA,B2DRC0.7
MTXMETHOTREXATEA,B1D1G0.7
MTXMETHOTREXATEA,B1DDR0.7
MTXMETHOTREXATEA,B1E7W0.7
MTXMETHOTREXATEA1RX30.7
MTXMETHOTREXATEA3DFR0.7
MTXMETHOTREXATEA,B,C,D1P330.7
MTXMETHOTREXATEA3DAT0.7
MTXMETHOTREXATEA,B1DHI0.7
MTXMETHOTREXATEA,B1TDR0.7
MTXMETHOTREXATEA,B1DRA0.7
MTXMETHOTREXATEA3EIG0.7
MTXMETHOTREXATEA3CD20.7
MTXMETHOTREXATEA1AO80.7
MTXMETHOTREXATEA1DF70.7
MTXMETHOTREXATEA1DLS0.7
MTXMETHOTREXATEA1RG70.7
MTXMETHOTREXATEA1RH30.7
MTXMETHOTREXATEA,B4DFR0.7
MTXMETHOTREXATEA1RA30.7
MTXMETHOTREXATEA,B1DDS0.7
MTXMETHOTREXATEA1DRE0.7
MTXMETHOTREXATEA,B1AXW0.7
MTXMETHOTREXATEA3CL90.7
MTXMETHOTREXATEA,B3DRC0.7
MTXMETHOTREXATEA,B,C,D,E2OIP0.7
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.72
MNT2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-
5'-DIPHOSPHATE		A1LVK0.79