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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02828184

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
BO1N-[4-(AMINOSULFONYL)PHENYL]-BETA-
D-GLUCOPYRANOSYLAMINE
A2HL40.74
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID
A2P360.76
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.73
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.72
179N-[(naphthalen-2-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUT0.7
445N-[oxo(phenylamino)acetyl]-beta-
D-glucopyranosylamine
A3CUW0.79
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2VCB0.79
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2VVS0.79
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A,B3CQM0.79
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2OXN0.79
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A,B2CBJ0.79
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.76
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.76
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.74
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.71
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPR0.75
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A,B2OPS0.75
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPP0.75
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPQ0.75
GHR[[(3S,4S,5R,6R)-3,4,5-trihydroxy-
6-(hydroxymethyl)piperidin-2-ylidene]amino] N-
(4-chlorophenyl)carbamate
A3D520.71
NYLN-ALLYL-ANILINEA1OVK0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
264(phenylamino)acetonitrileA2RBN0.72
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.71
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.71
376N-[(naphthalen-1-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUU0.7
1MRN-METHYLANILINEX2OTZ0.71