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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016913

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.75
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.79
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.79
SS2(1R)-1-PHENYLETHANOLA1ZJY0.79
341(3,5-difluorophenyl)methanolC3EON0.74
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.79
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.87
PEL2-PHENYL-ETHANOLD,H2I0T0.87
PEL2-PHENYL-ETHANOLA,B1HZY0.87
PEL2-PHENYL-ETHANOLA,B1I0B0.87
PEL2-PHENYL-ETHANOLA1EYW0.87
PEL2-PHENYL-ETHANOLA,B1JGM0.87
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.72
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.72
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
1VQ60.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.72
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
1VQP0.72
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
1VQN0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
SS11-PHENYLETHANOLH1UM50.79
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.84
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.82
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
RSOR-STYRENE OXIDEA,B1PWZ0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.84
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.78
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.78
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72