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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00331392

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.7
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE
A1UYC0.75
PUZ8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-
9-PENT-9H-PURIN-6-YLAMINE
A1UYI0.74
FRC1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-
1H-IMIDAZONE-4-CARBOXAMIDE
A1V7A0.8
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE
A1UYH0.76
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.74
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY80.76
XIH2-({8-[(3R)-3-AMINOPIPERIDIN-1-
YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-
TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
A2GBI0.74
PUX8-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE
A1UYK0.73
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.76
7117-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-2-METHYL-BENZIMIDAZOL-
1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
A1QBO0.7
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE
A1UYM0.72
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE
A1UY60.72
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.72
NMDN-NAPHTHALEN-1-YLMETHYL-2'-[3,5-
DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE
A,B,C,D,E,F1I320.71
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0B0.7
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0U0.7
DZ82-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-
5-YL)METHYL]-9-[3-(ISOPROPYLAMINO)PROPYL]-
9H-PURIN-6-AMINE
A2H550.71
U49(20S)-19,20,21,22-TETRAHYDRO-19-
OXO-5H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-
K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-
9-CARBONITRILE
A,B1LD80.74
9795,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
D]PYRIMIDIN-4-AMINE
A2OF40.71
TNDN-1,2,3,4-TETRAHYDRONAPHTH-1-YL-
2'-[3,5-DIMETHOXYBENZAMIDO]-2'-
DEOXY-ADENOSINE
A,B,C,D,E,F1I330.7
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
A,B,C,D2AJ80.74
DFY(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-
4-YLAMINO)-ACETIC
A2BRG0.71
3IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1R0.7
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-
A1UY90.73
PUYPUROMYCINA,B2DPT0.71
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1Q7Y0.71
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
B1LD70.74
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE
A2Z600.7
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE
A,B2QOH0.7