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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03011885

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6072-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-
BIPHENYL-3-YL)SUCCINATE		A1O360.72
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE		A,B,C,D,E,F1LVC0.72
6932-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-FLUORO-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE		A1O300.7
NE86-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-
8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE		A1Y5V0.71
VX14-[3-(4-chlorophenyl)-2,1-benzisoxazol-
5-yl]pyrimidin-2-amine		A3BGP0.7
057N-(2-hydroxy-1,1-dimethylethyl)-
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-
2-yl)-1H-indole-5-carboxamide		A,B3FQH0.72
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.72
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.77
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1QXL0.71
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,B1DIB0.72
C1BH2B7D0.72
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.73
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.7
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.74
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.72
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.71
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.72
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.73
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.72
A453-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-
D]PYRIMIDIN-2-YL)-BENZOIC ACID		A1RRI0.76
IDN(E)-N-METHYL-N-(1-METHYL-1H-INDOL-
3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-
[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE		A,B1MFP0.7
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1UML0.7
ONAA,C2GVZ0.71
BMSA,B1DKF0.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.71
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.75
FR51-((1R)-1-(HYDROXYMETHYL)-3-(6-
((3-(1-METHYL-1H-BENZIMIDAZOL-2-
YL)PROPANOYL)AMINO)-1H-INDOL-1-
YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDZ0.7
MNT2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-
5'-DIPHOSPHATE		A1LVK0.72
PT1PTEROIC ACIDA,B1TX00.77
PT1PTEROIC ACIDA1BR60.77
PT1PTEROIC ACIDA,B1HWP0.77
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.72
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.74
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.83
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.7
S796-amino-2-[(1-naphthylmethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A2QZR0.7
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.74
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.72
E896-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A,D1Y5X0.7
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.7
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.74
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.78
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.78
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.73
NIXNALIDIXIC ACIDA,B2BQ20.7
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,B2VQQ0.71
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,B2VQO0.71
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		A2VQJ0.71
MTXMETHOTREXATEA,B1DRB0.73
MTXMETHOTREXATEA,B,C,D2C7V0.73
MTXMETHOTREXATEA1U700.73
MTXMETHOTREXATEA,B,C,D1MXF0.73
MTXMETHOTREXATEA2QK80.73
MTXMETHOTREXATEA,B1RB30.73
MTXMETHOTREXATEA,B1DHJ0.73
MTXMETHOTREXATEA3DAU0.73
MTXMETHOTREXATEA1U720.73
MTXMETHOTREXATEA,B2DRC0.73
MTXMETHOTREXATEA,B1D1G0.73
MTXMETHOTREXATEA,B1DDR0.73
MTXMETHOTREXATEA,B1E7W0.73
MTXMETHOTREXATEA1RX30.73
MTXMETHOTREXATEA3DFR0.73
MTXMETHOTREXATEA,B,C,D1P330.73
MTXMETHOTREXATEA3DAT0.73
MTXMETHOTREXATEA,B1DHI0.73
MTXMETHOTREXATEA,B1TDR0.73
MTXMETHOTREXATEA,B1DRA0.73
MTXMETHOTREXATEA3EIG0.73
MTXMETHOTREXATEA3CD20.73
MTXMETHOTREXATEA1AO80.73
MTXMETHOTREXATEA1DF70.73
MTXMETHOTREXATEA1DLS0.73
MTXMETHOTREXATEA1RG70.73
MTXMETHOTREXATEA1RH30.73
MTXMETHOTREXATEA,B4DFR0.73
MTXMETHOTREXATEA1RA30.73
MTXMETHOTREXATEA,B1DDS0.73
MTXMETHOTREXATEA1DRE0.73
MTXMETHOTREXATEA,B1AXW0.73
MTXMETHOTREXATEA3CL90.73
MTXMETHOTREXATEA,B3DRC0.73
MTXMETHOTREXATEA,B,C,D,E2OIP0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.72
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.7
N1HH2F9B0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.7
BRFA1UUO0.71
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM		A,B1QCJ0.76
GMG[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-
b]pyridin-3-yl)phenyl]acetic acid		A3HDN0.7
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.71
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.72
PVBPURVALANOLA1CKP0.78
PVBPURVALANOLA,B1V0P0.78
UCN7-HYDROXYSTAUROSPORINEA1OKZ0.71
UCN7-HYDROXYSTAUROSPORINEA,C1PKD0.71
UCN7-HYDROXYSTAUROSPORINEA1NVQ0.71
CCK[1-(6-{6-[(1-methylethyl)amino]-
1H-indazol-1-yl}pyrazin-2-yl)-1H-
pyrrol-3-yl]acetic acid		X3E3B0.73
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.74
NEZ6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A1Y5W0.7
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		B,D,E,H1Y180.74
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		A,D,E,F,H1Y0L0.74
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