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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02407173

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A3CMQ0.76
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A,B1JJC0.76
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.72
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.72
S115-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-
1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-
2-YL-METHYL CARBAMATE
A1EP40.73
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEF0.73
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEG0.73
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,T2JEI0.73
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEJ0.73
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5E0.77
RFZ5,6-dichloro-1-beta-D-ribofuranosyl-
1H-benzimidazole
A,B3H300.73
4CA4-HYDROXYBENZYL COENZYME AA1LO80.73
4CA4-HYDROXYBENZYL COENZYME AA1Q4U0.73
DBIPHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-
BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-
HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-YL] ESTER
A1ID80.7
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL
A1X380.7
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL
A1LQ20.7
MBZ1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-
BENZOIMIDAZOLE-5'-MONOPHOSPHATE
1,21EEK0.7
DF9(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-
d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-
3-ol
A,B3DF90.74
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
B2F2C0.71
01A4-Chlorophenacyl-coenzyme AA,B3CW90.79
YMPO-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATEX,Y2DLC0.71
RFC(R)-IBUPROFENOYL-COENZYME AA,B,C,D2GCE0.74
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR20.74
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR30.74
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA,B1PT90.74
TYAA3TS10.74
I242-butoxy-9-(2,6-difluorobenzyl)-
N-(2-morpholin-4-ylethyl)-9H-purin-
6-amine
A,B2VVT0.7
BCA4-HYDROXYBENZOYL COENZYME AA,B,C1NZY0.7
BCA4-HYDROXYBENZOYL COENZYME AA,B,C1JXZ0.7
BCA4-HYDROXYBENZOYL COENZYME AA1LO90.7
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A,B,C1PR40.71
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A2AB80.71
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A2AA00.71
SFC(S)-IBUPROFENOYL-COENZYME AA,B,C,D2GCE0.74
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.73
PUYPUROMYCINA,B2DPT0.7
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1Q7Y0.7
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2IZU0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A,B1YOM0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2Z7S0.72
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2ALY0.72
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBM0.72
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBN0.72
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2PID0.72
OLOOLOMOUCINEA4ERK0.71
OLOOLOMOUCINEC1W0X0.71
00A5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosineX3CW80.78
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1D0V0.7
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1L4E0.7
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C,D1IHX0.74
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C1PTJ0.74
ANZA2V0C0.74
ANZA,B,D,F2V0G0.74
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.71
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5F0.77
DZD5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-
carbamoylbenzyl)-4-hydroxypyrrolidin-
3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
A,D3D4B0.73
NDA3-AMINOMETHYL-PYRIDINIUM-ADENINE-
DINUCLEOTIDE
A,B,C,D1EBU0.73
XAE3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5-
G]QUINAZOLIN-8-AMINE
A,B2ICZ0.72
3FD4-[[(2R,3S,4R,5R)-5-[6-amino-8-
[(3,4-dichlorophenyl)methylamino]purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZL0.79
NBSA1KSW0.8
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE
A1JHO0.72
AD33-DEAZA-ADENOSINEA,B1KIE0.73
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.73
AD33-DEAZA-ADENOSINEA,B1R4F0.73
AD33-DEAZA-ADENOSINEA,B1HP00.73
DAK4-(N,N-DIMETHYLAMINO)CINNAMOYL-
COA
A,B,C,D,E,F1EY30.74
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A,B2IY50.8
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A1B7Y0.8
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZK0.87
RRCR-ROSCOVITINEA,B,C,D3DDQ0.73
RRCR-ROSCOVITINEA1YGK0.73
RRCR-ROSCOVITINEA1UNL0.73
RRCR-ROSCOVITINEA2A4L0.73
ZZBA2WFG0.7
1DA1-DEAZA-ADENOSINEA1ADD0.73