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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03537205

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.78
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.74
L473-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-
4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
A,B1YRS0.71
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
TYBTYROSINALA,B1KDZ0.71
TYBTYROSINALA1Q110.71
TYBTYROSINALA,B2J5B0.71
TYBTYROSINALA,I1GA40.71
TYBTYROSINALA,B,C1NLU0.71
TYBTYROSINALA,B1KE10.71
TYBTYROSINALA,B1H3F0.71
TYBTYROSINALA,B1H3E0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.75
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.75
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.74
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.74
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
TYCL-TYROSINAMIDEA2BF90.74
TYCL-TYROSINAMIDEA2OCI0.74
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
AEF4-(2-aminoethyl)phenolA3BRA0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77