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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02235596

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.78
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.78
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.71
B08A,B2E990.77
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.8
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.8
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
PEL2-PHENYL-ETHANOLA,B1I0D0.8
PEL2-PHENYL-ETHANOLD,H2I0T0.8
PEL2-PHENYL-ETHANOLA,B1HZY0.8
PEL2-PHENYL-ETHANOLA,B1I0B0.8
PEL2-PHENYL-ETHANOLA1EYW0.8
PEL2-PHENYL-ETHANOLA,B1JGM0.8
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.8
BDBA,B1KE30.73
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.78
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.91
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.7
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.7
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.78
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.8
B28A,B2E9A0.78
SS11-PHENYLETHANOLH1UM50.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.87
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.7
NPYNAPHTHALENEA,B1O7G0.78
ANFANTHRONEH2BJM0.76
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.7
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.78
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
1NP1-NAPHTHOLX2ZVQ0.74
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.76
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.79
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.72
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.72
BFLA,B1Q4G0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.7
AN3ANTHRACENEA,B2HMN0.78
AN3ANTHRACENEA,B2HMM0.78
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.79
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.79
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.79
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.79
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.79
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.79
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.79
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.79
PEYPHENANTHRENEA,B2HML0.78
PEYPHENANTHRENEA,B2HMK0.78