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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01183757

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U66(20S)-19,20,22,23-TETRAHYDRO-19-
OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENOBENZ[D]IMIDAZO[4,3-
L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-
9-CARBONITRILE		B1LD70.71
IZ5N-{(1S)-2-{4-[(5S)-1,1-dioxido-
3-oxoisothiazolidin-5-yl]phenyl}-
1-[4-(3-phenylpropyl)-1H-imidazol-
2-yl]ethyl}-3-fluorobenzenesulfonamide		A2VEY0.71
N2GA,P,T2W8K0.7
N2GA,P,T2W8L0.7
FTI1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-
4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-
1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE		B1N9A0.73
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZYB0.71
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		A2J470.72
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine		A,G3FSI0.7
PGI(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-(2-PHENYLETHYL)-1,5,6,7,8,8A-
HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-
6,7,8-TRIOL		A,B2CET0.72
PGI(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-(2-PHENYLETHYL)-1,5,6,7,8,8A-
HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-
6,7,8-TRIOL		A,B2CER0.72
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME		A,B2FB80.71
RUN2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-
L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-
(2-METHYLPROPIONYL)IMIDAZOLE		B1HPS0.71
RC7{(2R)-4-(4-HYDROXYBENZYL)-2-[2-
(1H-IMIDAZOL-4-YL)ETHYL]-5-OXO-
2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE		A,B,C,D2GW40.71
IZ1N-[(1S)-2-{4-[(5S)-1,1-dioxido-
3-oxoisothiazolidin-5-yl]phenyl}-
1-(4-phenyl-1H-imidazol-2-yl)ethyl]-
3-(trifluoromethyl)benzenesulfonamide		A2VEU0.72
L0C4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-
1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-
6-YL]METHYL}MORPHOLIN-4-IUM		A2W1C0.72
HBNN-(2-NAPHTHYL)HISTIDINAMIDEB1VEA0.8
L0E4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-
5-YL)METHYL]MORPHOLIN-4-IUM		A2W1E0.74
FR91-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-
1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1O5R0.72
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.71
3MN3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]-
5-METHYL-5-(1-NAPHTHYL)-2,4-DIOXOIMIDAZOLIDIN-
1-YL}METHYL)BENZONITRILE		B2F0Y0.7
C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-
1-BENZENYL]-2-PROPYL]-CARBONYL-
HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-
[2-HYDROXY-4-ISOPROPYL]-PENTAN-
5-OIC ACID BUTYLAMIDE		A1RNE0.73
IH4N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)		A2BJU0.74
6HI(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-
4-(4-fluorophenyl)-1-(1-methylethyl)-
1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid		B,C,D3CD00.71
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE		A2OJ90.71
REMNalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-
N-[(1S,2R,3S)-1-(cyclohexylmethyl)-
3-cyclopropyl-2,3-dihydroxypropyl]-
L-histidinamide		A,B3D910.73
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDW0.73
IZ2N-[(1S)-1-(4-benzyl-1H-imidazol-
2-yl)-2-{4-[(5S)-1,1-dioxido-3-
oxoisothiazolidin-5-yl]phenyl}ethyl]-
3-(trifluoromethyl)benzenesulfonamide		A2VEV0.71
FR31-((1R)-1-(HYDROXYMETHYL)-3-(1-
NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-
CARBOXAMIDE		A1NDY0.75
NVG4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-
2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-
L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-
ONE		A,B2V2Q0.74
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		A2W170.7
FR61-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-
1H-IMIDAZOLE-4-CARBOXAMIDE		A2E1W0.75
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE		A1PF80.71
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		A2I3Z0.71
L0G2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-
IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-
3-IUM		A2W1G0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.74
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.74
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.74
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.74
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.74
CX1N-[(benzyloxy)carbonyl]-L-histidyl-
N-methyl-L-phenylalanyl-L-tyrosine		B3C720.71
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.7
IH32-(2,2-DIPHENYL-ETHYL)-7-METHYL-
1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-
[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-
5-CARBOXYLIC ACID [4-(2-AMINO-3H-
IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE		2,31C4Y0.76
P40N-cyclopropyl-4-methyl-3-{2-[(2-
morpholin-4-ylethyl)amino]quinazolin-
6-yl}benzamide		A3DT10.73
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1QXL0.72
JNKN-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-
BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE		X2EXC0.71
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
GK6N-{4'-[(cyclopropylmethyl)carbamoyl]-
6-methylbiphenyl-3-yl}-2-morpholin-
4-ylpyridine-4-carboxamide		A3D830.7
XX5(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-
BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-
4-METHYL-PENTANOIC ACID		A1R4L0.72
VGB(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-
2-(2-phenylethyl)-8-(propanoylamino)-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2WB50.77
WSA5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINEA,B,C,D2YY50.72
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1UML0.71
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide		A,B,C,D,E3FAA0.71
L0I4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-
6-YL)METHYL]MORPHOLIN-4-IUM		A,B2W1I0.72
FTH1-[2-(4-CYANO-BENZYLAMINO)-3-(3-
METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-
5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-
PYRIDINE-4-CARBONITRILE		B1N950.75
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE		A2NMT0.71
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE		A,B1IYK0.71
IM1B1BDQ0.75
IM1A,B1TCW0.75
IM1A1SBG0.75
IM1A,B1BDL0.75
IM1B1BDR0.75
IM1A1TCX0.75
GSZN-[(5R,6R,7R,8S)-6,7-DIHYDROXY-
5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE		A,B2J620.77
V125'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-
5'-DEOXYCYTIDINE		A,B2V2V0.74
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.71
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER		B,C1G300.72
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER		A1G2L0.72
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER		A1OYQ0.72
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE		A1M510.7