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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00719722

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OA56-(2-phenoxyethoxy)-1,3,5-triazine-
2,4-diamine
A,B2W6Q0.7
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.79
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.9
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.76
OHT4-HYDROXYTAMOXIFENA3ERT0.77
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.77
OHT4-HYDROXYTAMOXIFENA,B1VJB0.77
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.77
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.77
OHT4-HYDROXYTAMOXIFENA2GPU0.77
OHT4-HYDROXYTAMOXIFENA2P7Z0.77
OHT4-HYDROXYTAMOXIFENA,B2BJ40.77
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.77
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.78
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.78
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
DZG1-(2,3-dihydro-1,4-benzodioxin-
6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
A,B,C,D3GQY0.73
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.78
283(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-
3-THIOL
A2OI00.72
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXR0.73
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXS0.73
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B,C,D1O5W0.73
2612-ethoxyphenolX2RB10.82
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.75
2682-phenoxyethanolA2RBR0.8
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
258(2-chloroethoxy)benzeneX2RAY0.76
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.74