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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02306268

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.78
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.78
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
B28A,B2E9A0.73
BFLA,B1Q4G0.71
1LPTRANYLCYPROMINEA,B1OJB0.71
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.74
SS11-PHENYLETHANOLH1UM50.7
OBZO-benzylhydroxylamineA,B3DTH0.79
OBZO-benzylhydroxylamineA,B3DTG0.79
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.7
NPYNAPHTHALENEA,B1O7G0.72
B08A,B2E990.74
BDBA,B1KE30.77
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
N4BN-BUTYLBENZENEA186L0.71
RSOR-STYRENE OXIDEA,B1PWZ0.7
I4BISOBUTYLBENZENEA184L0.73
PHLL-PHENYLALANINOLA,B1JOH0.7
PHLL-PHENYLALANINOLI3APR0.7
PHLL-PHENYLALANINOLA1DLZ0.7
PHLL-PHENYLALANINOLA1IH90.7
PHLL-PHENYLALANINOLA1OB40.7
PHLL-PHENYLALANINOLI2ER60.7
PHLL-PHENYLALANINOLA1R9U0.7
PHLL-PHENYLALANINOLA1OB70.7
PHLL-PHENYLALANINOLA,B1OB60.7
PHLL-PHENYLALANINOLA,B,C1AMT0.7
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.78
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
FPRPROPYLBENZENEC1RHK0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.78
PEL2-PHENYL-ETHANOLD,H2I0T0.78
PEL2-PHENYL-ETHANOLA,B1HZY0.78
PEL2-PHENYL-ETHANOLA,B1I0B0.78
PEL2-PHENYL-ETHANOLA1EYW0.78
PEL2-PHENYL-ETHANOLA,B1JGM0.78