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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00759959

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.72
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate
A3BET0.71
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.71
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C930.73
3MB3-METHOXYBENZAMIDEA3PAX0.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D1Z2B0.7
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D3DU70.7
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,D,F,G3EDL0.7
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D1SA00.7
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.73
C41ALISKIRENC,O2V0Z0.71
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.75
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.75
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.75
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.73
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.73
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72