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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00272041

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.72
ANFANTHRONEH2BJM0.7
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.72
FINA1ZVX0.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.76
EINA1ZS00.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.75
OBPA,B2DE30.74
LK2N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
D-GLUTAMIC ACID
A2JFF0.77
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.75
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.75
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C930.77
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.87
LK3N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-
D-GLUTAMIC ACID
A2UUO0.77
MBSA,B1HY70.76
LK4N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2UUP0.73
LK4N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2VTE0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
1NP1-NAPHTHOLX2ZVQ0.74
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.73
LNRL-NOREPINEPHRINEA,B2QEO0.72
LNRL-NOREPINEPHRINEA3DYE0.72
LNRL-NOREPINEPHRINEA4PAH0.72
AEF4-(2-aminoethyl)phenolA3BRA0.72
LK1N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
L-GLUTAMIC ACID
A2JFH0.77
LKMN-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2VTD0.72