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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02431451

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RSOR-STYRENE OXIDEA,B1PWZ0.74
BFLA,B1Q4G0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.76
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
341(3,5-difluorophenyl)methanolC3EON0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.85
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.73
IBPIBUPROFENA3FKX0.7
IBPIBUPROFENA,B2BXG0.7
IBPIBUPROFENA,B1EQG0.7
IBPIBUPROFENA,B,C2WD90.7
IBPIBUPROFENA2PWS0.7
2LP2-ALLYLPHENOLA1OV50.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.83
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.76
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
I4BISOBUTYLBENZENEA184L0.71
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
PHLL-PHENYLALANINOLA,B1JOH0.72
PHLL-PHENYLALANINOLI3APR0.72
PHLL-PHENYLALANINOLA1DLZ0.72
PHLL-PHENYLALANINOLA1IH90.72
PHLL-PHENYLALANINOLA1OB40.72
PHLL-PHENYLALANINOLI2ER60.72
PHLL-PHENYLALANINOLA1R9U0.72
PHLL-PHENYLALANINOLA1OB70.72
PHLL-PHENYLALANINOLA,B1OB60.72
PHLL-PHENYLALANINOLA,B,C1AMT0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
SS11-PHENYLETHANOLH1UM50.82
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.71
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.77
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.79
PEL2-PHENYL-ETHANOLA,B1I0D0.86
PEL2-PHENYL-ETHANOLD,H2I0T0.86
PEL2-PHENYL-ETHANOLA,B1HZY0.86
PEL2-PHENYL-ETHANOLA,B1I0B0.86
PEL2-PHENYL-ETHANOLA1EYW0.86
PEL2-PHENYL-ETHANOLA,B1JGM0.86