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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02805672

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.77
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.7
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.73
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.72
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.74
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.72
LDPL-DOPAMINEA,B2A3R0.74
LDPL-DOPAMINEA5PAH0.74
LDPL-DOPAMINEA,B2QMZ0.74
LDPL-DOPAMINEA,B2VQ50.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
1NP1-NAPHTHOLX2ZVQ0.71
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
AEF4-(2-aminoethyl)phenolA3BRA0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.73
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.77
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.76
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
2LP2-ALLYLPHENOLA1OV50.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73